USER MOD reduce.3.24.130724 H: found=0, std=0, add=882, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 885 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: B 72 HIS :FLIP no HE2:sc= -0.256 F(o=-3.4,f=-0.84) USER MOD Set 1.2: B 116 ASN : amide:sc= -0.584 K(o=-0.84,f=-3.8!) USER MOD Set 2.1: B 54 TYR OH : rot -63:sc= 0.296 USER MOD Set 2.2: B 61 GLN :FLIP amide:sc= 0.885 F(o=-0.23,f=1.2) USER MOD Single : A 9 ASN : amide:sc= 1.3 K(o=1.3,f=-10!) USER MOD Single : A 10 SER OG : rot 180:sc= 0 USER MOD Single : A 11 GLN :FLIP amide:sc= -0.0323 F(o=-0.8,f=-0.032) USER MOD Single : A 27 TYR OH : rot 166:sc= -0.183 USER MOD Single : A 30 SER OG : rot 96:sc= 1.24 USER MOD Single : A 31 GLN :FLIP amide:sc= -0.287 F(o=-1.5,f=-0.29) USER MOD Single : A 32 GLN :FLIP amide:sc= -0.0209 F(o=-0.82,f=-0.021) USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 LYS NZ :NH3+ -153:sc= -0.0107 (180deg=-0.33) USER MOD Single : B 44 THR OG1 : rot 180:sc= 0 USER MOD Single : B 46 LYS NZ :NH3+ 160:sc= 1.24 (180deg=0.851) USER MOD Single : B 47 THR OG1 : rot 102:sc= 1.25 USER MOD Single : B 48 LYS NZ :NH3+ -169:sc= 1.27 (180deg=1.19) USER MOD Single : B 55 GLN : amide:sc= -0.0606 K(o=-0.061,f=-0.73) USER MOD Single : B 56 ASN : amide:sc= 1.21 K(o=1.2,f=-0.18) USER MOD Single : B 57 SER OG : rot 90:sc= 0.108 USER MOD Single : B 65 LYS NZ :NH3+ -143:sc= -0.42 (180deg=-0.5) USER MOD Single : B 66 TYR OH : rot 180:sc= 0 USER MOD Single : B 67 ASN : amide:sc= 1.14 K(o=1.1,f=-1.2) USER MOD Single : B 68 THR OG1 : rot 180:sc= 0 USER MOD Single : B 70 LYS NZ :NH3+ -107:sc= 1.03 (180deg=-0.00434) USER MOD Single : B 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 77 TYR OH : rot 180:sc= 0 USER MOD Single : B 81 SER OG : rot -79:sc= -0.0179 USER MOD Single : B 97 GLN :FLIP amide:sc= -0.125 F(o=-1.7,f=-0.13) USER MOD Single : B 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 103 ASN : amide:sc= 0.988 K(o=0.99,f=-0.11) USER MOD Single : B 104 TYR OH : rot 180:sc= 0 USER MOD Single : B 106 ASN : amide:sc= 0.175 K(o=0.17,f=-5.1!) USER MOD Single : B 107 THR OG1 : rot -17:sc= 1.22 USER MOD Single : B 110 TYR OH : rot 180:sc= 0 USER MOD Single : B 114 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 115 TYR OH : rot 180:sc= 0 USER MOD Single : B 123 CYS SG : rot -16:sc= 0.982 USER MOD Single : B 124 GLN : amide:sc= -0.216 K(o=-0.22,f=-0.88) USER MOD Single : B 129 LYS NZ :NH3+ -166:sc= 1.28 (180deg=1.05) USER MOD Single : B 131 ASN : amide:sc= 0.835 K(o=0.84,f=-0.0035) USER MOD ----------------------------------------------------------------- ATOM 103 N GLU A 8 10.546 0.816 -7.142 1.00 0.00 N ATOM 104 CA GLU A 8 9.561 1.697 -6.548 1.00 0.00 C ATOM 105 C GLU A 8 8.546 0.867 -5.778 1.00 0.00 C ATOM 106 O GLU A 8 8.085 1.267 -4.712 1.00 0.00 O ATOM 107 CB GLU A 8 8.854 2.541 -7.610 1.00 0.00 C ATOM 108 CG GLU A 8 8.558 1.787 -8.893 1.00 0.00 C ATOM 109 CD GLU A 8 9.629 2.000 -9.938 1.00 0.00 C ATOM 110 OE1 GLU A 8 10.710 1.395 -9.818 1.00 0.00 O1- ATOM 111 OE2 GLU A 8 9.397 2.780 -10.881 1.00 0.00 O ATOM 0 HA GLU A 8 10.072 2.380 -5.870 1.00 0.00 H new ATOM 0 HB2 GLU A 8 7.919 2.919 -7.197 1.00 0.00 H new ATOM 0 HB3 GLU A 8 9.472 3.408 -7.843 1.00 0.00 H new ATOM 0 HG2 GLU A 8 8.471 0.722 -8.675 1.00 0.00 H new ATOM 0 HG3 GLU A 8 7.596 2.111 -9.290 1.00 0.00 H new ATOM 118 N ASN A 9 8.232 -0.308 -6.320 1.00 0.00 N ATOM 119 CA ASN A 9 7.334 -1.249 -5.661 1.00 0.00 C ATOM 120 C ASN A 9 7.909 -1.666 -4.322 1.00 0.00 C ATOM 121 O ASN A 9 7.210 -1.666 -3.315 1.00 0.00 O ATOM 122 CB ASN A 9 7.114 -2.495 -6.520 1.00 0.00 C ATOM 123 CG ASN A 9 6.451 -2.191 -7.842 1.00 0.00 C ATOM 124 OD1 ASN A 9 5.227 -2.160 -7.943 1.00 0.00 O ATOM 125 ND2 ASN A 9 7.253 -1.982 -8.872 1.00 0.00 N ATOM 0 H ASN A 9 8.590 -0.631 -7.219 1.00 0.00 H new ATOM 0 HA ASN A 9 6.377 -0.749 -5.515 1.00 0.00 H new ATOM 0 HB2 ASN A 9 8.074 -2.977 -6.704 1.00 0.00 H new ATOM 0 HB3 ASN A 9 6.501 -3.207 -5.967 1.00 0.00 H new ATOM 0 HD21 ASN A 9 6.860 -1.786 -9.793 1.00 0.00 H new ATOM 0 HD22 ASN A 9 8.265 -2.017 -8.746 1.00 0.00 H new ATOM 132 N SER A 10 9.193 -2.004 -4.325 1.00 0.00 N ATOM 133 CA SER A 10 9.908 -2.387 -3.114 1.00 0.00 C ATOM 134 C SER A 10 9.725 -1.338 -2.018 1.00 0.00 C ATOM 135 O SER A 10 9.510 -1.674 -0.851 1.00 0.00 O ATOM 136 CB SER A 10 11.397 -2.570 -3.437 1.00 0.00 C ATOM 137 OG SER A 10 12.165 -2.814 -2.271 1.00 0.00 O ATOM 0 H SER A 10 9.768 -2.020 -5.167 1.00 0.00 H new ATOM 0 HA SER A 10 9.500 -3.328 -2.746 1.00 0.00 H new ATOM 0 HB2 SER A 10 11.518 -3.401 -4.132 1.00 0.00 H new ATOM 0 HB3 SER A 10 11.772 -1.678 -3.938 1.00 0.00 H new ATOM 0 HG SER A 10 13.107 -2.927 -2.517 1.00 0.00 H new ATOM 143 N GLN A 11 9.786 -0.070 -2.402 1.00 0.00 N ATOM 144 CA GLN A 11 9.636 1.018 -1.450 1.00 0.00 C ATOM 145 C GLN A 11 8.175 1.166 -1.040 1.00 0.00 C ATOM 146 O GLN A 11 7.873 1.424 0.123 1.00 0.00 O ATOM 147 CB GLN A 11 10.158 2.326 -2.047 1.00 0.00 C ATOM 148 CG GLN A 11 11.577 2.230 -2.579 1.00 0.00 C ATOM 149 CD GLN A 11 12.587 1.825 -1.518 1.00 0.00 C ATOM 150 OE1 GLN A 11 12.357 2.229 -0.278 1.00 0.00 O flip ATOM 151 NE2 GLN A 11 13.579 1.168 -1.821 1.00 0.00 N flip ATOM 0 H GLN A 11 9.938 0.229 -3.365 1.00 0.00 H new ATOM 0 HA GLN A 11 10.224 0.785 -0.562 1.00 0.00 H new ATOM 0 HB2 GLN A 11 9.496 2.636 -2.856 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.117 3.105 -1.286 1.00 0.00 H new ATOM 0 HG2 GLN A 11 11.605 1.506 -3.393 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.867 3.193 -2.999 1.00 0.00 H new ATOM 0 HE21 GLN A 11 13.721 0.875 -2.788 1.00 0.00 H new ATOM 0 HE22 GLN A 11 14.261 0.915 -1.106 1.00 0.00 H new ATOM 160 N LEU A 12 7.278 0.990 -2.009 1.00 0.00 N ATOM 161 CA LEU A 12 5.841 1.045 -1.755 1.00 0.00 C ATOM 162 C LEU A 12 5.428 -0.010 -0.733 1.00 0.00 C ATOM 163 O LEU A 12 4.701 0.285 0.215 1.00 0.00 O ATOM 164 CB LEU A 12 5.050 0.823 -3.048 1.00 0.00 C ATOM 165 CG LEU A 12 5.241 1.879 -4.139 1.00 0.00 C ATOM 166 CD1 LEU A 12 4.449 1.500 -5.372 1.00 0.00 C ATOM 167 CD2 LEU A 12 4.824 3.250 -3.646 1.00 0.00 C ATOM 0 H LEU A 12 7.524 0.807 -2.982 1.00 0.00 H new ATOM 0 HA LEU A 12 5.618 2.036 -1.360 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.326 -0.149 -3.458 1.00 0.00 H new ATOM 0 HB3 LEU A 12 3.990 0.774 -2.799 1.00 0.00 H new ATOM 0 HG LEU A 12 6.300 1.920 -4.395 1.00 0.00 H new ATOM 0 HD11 LEU A 12 4.591 2.257 -6.143 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.794 0.535 -5.744 1.00 0.00 H new ATOM 0 HD13 LEU A 12 3.391 1.434 -5.119 1.00 0.00 H new ATOM 0 HD21 LEU A 12 4.970 3.982 -4.440 1.00 0.00 H new ATOM 0 HD22 LEU A 12 3.772 3.229 -3.360 1.00 0.00 H new ATOM 0 HD23 LEU A 12 5.430 3.526 -2.783 1.00 0.00 H new ATOM 179 N LEU A 13 5.913 -1.235 -0.933 1.00 0.00 N ATOM 180 CA LEU A 13 5.529 -2.377 -0.105 1.00 0.00 C ATOM 181 C LEU A 13 5.784 -2.113 1.372 1.00 0.00 C ATOM 182 O LEU A 13 4.866 -2.186 2.190 1.00 0.00 O ATOM 183 CB LEU A 13 6.296 -3.633 -0.531 1.00 0.00 C ATOM 184 CG LEU A 13 6.160 -4.023 -2.003 1.00 0.00 C ATOM 185 CD1 LEU A 13 6.887 -5.330 -2.275 1.00 0.00 C ATOM 186 CD2 LEU A 13 4.697 -4.126 -2.404 1.00 0.00 C ATOM 0 H LEU A 13 6.580 -1.463 -1.670 1.00 0.00 H new ATOM 0 HA LEU A 13 4.460 -2.532 -0.250 1.00 0.00 H new ATOM 0 HB2 LEU A 13 7.353 -3.484 -0.309 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.957 -4.469 0.081 1.00 0.00 H new ATOM 0 HG LEU A 13 6.619 -3.241 -2.608 1.00 0.00 H new ATOM 0 HD11 LEU A 13 6.780 -5.593 -3.327 1.00 0.00 H new ATOM 0 HD12 LEU A 13 7.944 -5.215 -2.035 1.00 0.00 H new ATOM 0 HD13 LEU A 13 6.459 -6.120 -1.658 1.00 0.00 H new ATOM 0 HD21 LEU A 13 4.627 -4.405 -3.455 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.205 -4.884 -1.794 1.00 0.00 H new ATOM 0 HD23 LEU A 13 4.209 -3.164 -2.250 1.00 0.00 H new ATOM 198 N ASP A 14 7.029 -1.798 1.711 1.00 0.00 N ATOM 199 CA ASP A 14 7.399 -1.578 3.104 1.00 0.00 C ATOM 200 C ASP A 14 6.741 -0.329 3.662 1.00 0.00 C ATOM 201 O ASP A 14 6.467 -0.252 4.856 1.00 0.00 O ATOM 202 CB ASP A 14 8.916 -1.492 3.273 1.00 0.00 C ATOM 203 CG ASP A 14 9.555 -2.855 3.444 1.00 0.00 C ATOM 204 OD1 ASP A 14 9.260 -3.533 4.455 1.00 0.00 O ATOM 205 OD2 ASP A 14 10.370 -3.246 2.583 1.00 0.00 O1- ATOM 0 H ASP A 14 7.794 -1.690 1.046 1.00 0.00 H new ATOM 0 HA ASP A 14 7.039 -2.438 3.668 1.00 0.00 H new ATOM 0 HB2 ASP A 14 9.348 -0.997 2.403 1.00 0.00 H new ATOM 0 HB3 ASP A 14 9.148 -0.873 4.140 1.00 0.00 H new ATOM 210 N PHE A 15 6.482 0.642 2.796 1.00 0.00 N ATOM 211 CA PHE A 15 5.814 1.870 3.203 1.00 0.00 C ATOM 212 C PHE A 15 4.392 1.561 3.655 1.00 0.00 C ATOM 213 O PHE A 15 4.026 1.823 4.798 1.00 0.00 O ATOM 214 CB PHE A 15 5.805 2.863 2.041 1.00 0.00 C ATOM 215 CG PHE A 15 5.377 4.257 2.407 1.00 0.00 C ATOM 216 CD1 PHE A 15 4.038 4.613 2.397 1.00 0.00 C ATOM 217 CD2 PHE A 15 6.321 5.220 2.728 1.00 0.00 C ATOM 218 CE1 PHE A 15 3.647 5.902 2.703 1.00 0.00 C ATOM 219 CE2 PHE A 15 5.935 6.511 3.028 1.00 0.00 C ATOM 220 CZ PHE A 15 4.598 6.853 3.015 1.00 0.00 C ATOM 0 H PHE A 15 6.725 0.602 1.806 1.00 0.00 H new ATOM 0 HA PHE A 15 6.354 2.316 4.038 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.805 2.906 1.611 1.00 0.00 H new ATOM 0 HB3 PHE A 15 5.140 2.486 1.264 1.00 0.00 H new ATOM 0 HD1 PHE A 15 3.291 3.874 2.147 1.00 0.00 H new ATOM 0 HD2 PHE A 15 7.369 4.958 2.744 1.00 0.00 H new ATOM 0 HE1 PHE A 15 2.600 6.165 2.698 1.00 0.00 H new ATOM 0 HE2 PHE A 15 6.680 7.254 3.273 1.00 0.00 H new ATOM 0 HZ PHE A 15 4.296 7.863 3.249 1.00 0.00 H new ATOM 230 N ILE A 16 3.610 0.970 2.755 1.00 0.00 N ATOM 231 CA ILE A 16 2.235 0.576 3.053 1.00 0.00 C ATOM 232 C ILE A 16 2.202 -0.343 4.274 1.00 0.00 C ATOM 233 O ILE A 16 1.302 -0.268 5.114 1.00 0.00 O ATOM 234 CB ILE A 16 1.602 -0.150 1.844 1.00 0.00 C ATOM 235 CG1 ILE A 16 1.622 0.757 0.610 1.00 0.00 C ATOM 236 CG2 ILE A 16 0.179 -0.587 2.159 1.00 0.00 C ATOM 237 CD1 ILE A 16 1.254 0.042 -0.672 1.00 0.00 C ATOM 0 H ILE A 16 3.909 0.752 1.804 1.00 0.00 H new ATOM 0 HA ILE A 16 1.661 1.478 3.264 1.00 0.00 H new ATOM 0 HB ILE A 16 2.192 -1.042 1.633 1.00 0.00 H new ATOM 0 HG12 ILE A 16 0.930 1.585 0.766 1.00 0.00 H new ATOM 0 HG13 ILE A 16 2.617 1.189 0.503 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -0.246 -1.095 1.293 1.00 0.00 H new ATOM 0 HG22 ILE A 16 0.187 -1.267 3.011 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -0.426 0.288 2.399 1.00 0.00 H new ATOM 0 HD11 ILE A 16 1.289 0.745 -1.504 1.00 0.00 H new ATOM 0 HD12 ILE A 16 1.960 -0.769 -0.852 1.00 0.00 H new ATOM 0 HD13 ILE A 16 0.247 -0.367 -0.585 1.00 0.00 H new ATOM 249 N ARG A 17 3.213 -1.192 4.362 1.00 0.00 N ATOM 250 CA ARG A 17 3.360 -2.122 5.467 1.00 0.00 C ATOM 251 C ARG A 17 3.506 -1.377 6.795 1.00 0.00 C ATOM 252 O ARG A 17 2.872 -1.736 7.787 1.00 0.00 O ATOM 253 CB ARG A 17 4.573 -3.015 5.208 1.00 0.00 C ATOM 254 CG ARG A 17 4.833 -4.065 6.270 1.00 0.00 C ATOM 255 CD ARG A 17 5.976 -4.971 5.850 1.00 0.00 C ATOM 256 NE ARG A 17 6.343 -5.928 6.890 1.00 0.00 N ATOM 257 CZ ARG A 17 7.560 -6.456 7.020 1.00 0.00 C ATOM 258 NH1 ARG A 17 8.540 -6.101 6.189 1.00 0.00 N1+ ATOM 259 NH2 ARG A 17 7.799 -7.331 7.989 1.00 0.00 N ATOM 0 H ARG A 17 3.956 -1.255 3.666 1.00 0.00 H new ATOM 0 HA ARG A 17 2.465 -2.740 5.538 1.00 0.00 H new ATOM 0 HB2 ARG A 17 4.439 -3.515 4.249 1.00 0.00 H new ATOM 0 HB3 ARG A 17 5.457 -2.384 5.118 1.00 0.00 H new ATOM 0 HG2 ARG A 17 5.073 -3.582 7.217 1.00 0.00 H new ATOM 0 HG3 ARG A 17 3.932 -4.657 6.433 1.00 0.00 H new ATOM 0 HD2 ARG A 17 5.693 -5.512 4.947 1.00 0.00 H new ATOM 0 HD3 ARG A 17 6.844 -4.362 5.599 1.00 0.00 H new ATOM 0 HE ARG A 17 5.625 -6.209 7.557 1.00 0.00 H new ATOM 0 HH11 ARG A 17 8.360 -5.422 5.449 1.00 0.00 H new ATOM 0 HH12 ARG A 17 9.469 -6.508 6.293 1.00 0.00 H new ATOM 0 HH21 ARG A 17 7.053 -7.597 8.631 1.00 0.00 H new ATOM 0 HH22 ARG A 17 8.729 -7.737 8.091 1.00 0.00 H new ATOM 273 N GLU A 18 4.328 -0.332 6.805 1.00 0.00 N ATOM 274 CA GLU A 18 4.539 0.458 8.012 1.00 0.00 C ATOM 275 C GLU A 18 3.271 1.213 8.407 1.00 0.00 C ATOM 276 O GLU A 18 2.985 1.368 9.594 1.00 0.00 O ATOM 277 CB GLU A 18 5.714 1.426 7.841 1.00 0.00 C ATOM 278 CG GLU A 18 7.054 0.717 7.715 1.00 0.00 C ATOM 279 CD GLU A 18 8.242 1.656 7.801 1.00 0.00 C ATOM 280 OE1 GLU A 18 8.105 2.750 8.387 1.00 0.00 O ATOM 281 OE2 GLU A 18 9.335 1.285 7.311 1.00 0.00 O1- ATOM 0 H GLU A 18 4.857 -0.014 5.993 1.00 0.00 H new ATOM 0 HA GLU A 18 4.785 -0.233 8.818 1.00 0.00 H new ATOM 0 HB2 GLU A 18 5.548 2.038 6.954 1.00 0.00 H new ATOM 0 HB3 GLU A 18 5.746 2.104 8.694 1.00 0.00 H new ATOM 0 HG2 GLU A 18 7.135 -0.033 8.502 1.00 0.00 H new ATOM 0 HG3 GLU A 18 7.088 0.186 6.764 1.00 0.00 H new ATOM 288 N LEU A 19 2.505 1.666 7.415 1.00 0.00 N ATOM 289 CA LEU A 19 1.224 2.317 7.679 1.00 0.00 C ATOM 290 C LEU A 19 0.305 1.387 8.467 1.00 0.00 C ATOM 291 O LEU A 19 -0.265 1.772 9.488 1.00 0.00 O ATOM 292 CB LEU A 19 0.530 2.728 6.375 1.00 0.00 C ATOM 293 CG LEU A 19 0.908 4.097 5.801 1.00 0.00 C ATOM 294 CD1 LEU A 19 2.393 4.190 5.520 1.00 0.00 C ATOM 295 CD2 LEU A 19 0.124 4.355 4.530 1.00 0.00 C ATOM 0 H LEU A 19 2.748 1.594 6.427 1.00 0.00 H new ATOM 0 HA LEU A 19 1.427 3.213 8.266 1.00 0.00 H new ATOM 0 HB2 LEU A 19 0.745 1.971 5.621 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -0.547 2.714 6.543 1.00 0.00 H new ATOM 0 HG LEU A 19 0.660 4.855 6.544 1.00 0.00 H new ATOM 0 HD11 LEU A 19 2.625 5.174 5.114 1.00 0.00 H new ATOM 0 HD12 LEU A 19 2.949 4.039 6.446 1.00 0.00 H new ATOM 0 HD13 LEU A 19 2.675 3.424 4.798 1.00 0.00 H new ATOM 0 HD21 LEU A 19 0.397 5.330 4.126 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.354 3.581 3.797 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -0.943 4.340 4.751 1.00 0.00 H new ATOM 307 N GLY A 20 0.166 0.158 7.986 1.00 0.00 N ATOM 308 CA GLY A 20 -0.678 -0.812 8.658 1.00 0.00 C ATOM 309 C GLY A 20 -0.130 -1.226 10.011 1.00 0.00 C ATOM 310 O GLY A 20 -0.895 -1.501 10.936 1.00 0.00 O ATOM 0 H GLY A 20 0.623 -0.185 7.141 1.00 0.00 H new ATOM 0 HA2 GLY A 20 -1.675 -0.392 8.787 1.00 0.00 H new ATOM 0 HA3 GLY A 20 -0.783 -1.695 8.027 1.00 0.00 H new ATOM 314 N ASP A 21 1.192 -1.241 10.131 1.00 0.00 N ATOM 315 CA ASP A 21 1.856 -1.710 11.347 1.00 0.00 C ATOM 316 C ASP A 21 1.618 -0.761 12.522 1.00 0.00 C ATOM 317 O ASP A 21 1.586 -1.188 13.677 1.00 0.00 O ATOM 318 CB ASP A 21 3.358 -1.869 11.090 1.00 0.00 C ATOM 319 CG ASP A 21 4.092 -2.544 12.234 1.00 0.00 C ATOM 320 OD1 ASP A 21 4.052 -3.789 12.319 1.00 0.00 O1- ATOM 321 OD2 ASP A 21 4.738 -1.841 13.037 1.00 0.00 O ATOM 0 H ASP A 21 1.831 -0.932 9.398 1.00 0.00 H new ATOM 0 HA ASP A 21 1.428 -2.677 11.613 1.00 0.00 H new ATOM 0 HB2 ASP A 21 3.505 -2.450 10.180 1.00 0.00 H new ATOM 0 HB3 ASP A 21 3.796 -0.886 10.915 1.00 0.00 H new ATOM 326 N VAL A 22 1.438 0.524 12.231 1.00 0.00 N ATOM 327 CA VAL A 22 1.212 1.513 13.280 1.00 0.00 C ATOM 328 C VAL A 22 -0.255 1.926 13.336 1.00 0.00 C ATOM 329 O VAL A 22 -0.650 2.744 14.168 1.00 0.00 O ATOM 330 CB VAL A 22 2.095 2.767 13.099 1.00 0.00 C ATOM 331 CG1 VAL A 22 3.566 2.414 13.243 1.00 0.00 C ATOM 332 CG2 VAL A 22 1.833 3.429 11.754 1.00 0.00 C ATOM 0 H VAL A 22 1.444 0.903 11.284 1.00 0.00 H new ATOM 0 HA VAL A 22 1.489 1.036 14.220 1.00 0.00 H new ATOM 0 HB VAL A 22 1.834 3.478 13.883 1.00 0.00 H new ATOM 0 HG11 VAL A 22 4.170 3.312 13.112 1.00 0.00 H new ATOM 0 HG12 VAL A 22 3.745 1.998 14.234 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.840 1.679 12.486 1.00 0.00 H new ATOM 0 HG21 VAL A 22 2.468 4.309 11.652 1.00 0.00 H new ATOM 0 HG22 VAL A 22 2.057 2.725 10.952 1.00 0.00 H new ATOM 0 HG23 VAL A 22 0.786 3.727 11.693 1.00 0.00 H new ATOM 342 N GLY A 23 -1.053 1.361 12.438 1.00 0.00 N ATOM 343 CA GLY A 23 -2.482 1.600 12.459 1.00 0.00 C ATOM 344 C GLY A 23 -2.892 2.881 11.755 1.00 0.00 C ATOM 345 O GLY A 23 -3.813 3.571 12.190 1.00 0.00 O ATOM 0 H GLY A 23 -0.734 0.740 11.694 1.00 0.00 H new ATOM 0 HA2 GLY A 23 -2.990 0.758 11.989 1.00 0.00 H new ATOM 0 HA3 GLY A 23 -2.821 1.639 13.494 1.00 0.00 H new ATOM 349 N LEU A 24 -2.201 3.211 10.674 1.00 0.00 N ATOM 350 CA LEU A 24 -2.551 4.368 9.862 1.00 0.00 C ATOM 351 C LEU A 24 -3.179 3.942 8.541 1.00 0.00 C ATOM 352 O LEU A 24 -3.634 4.774 7.759 1.00 0.00 O ATOM 353 CB LEU A 24 -1.309 5.219 9.614 1.00 0.00 C ATOM 354 CG LEU A 24 -0.810 5.964 10.848 1.00 0.00 C ATOM 355 CD1 LEU A 24 0.544 6.596 10.596 1.00 0.00 C ATOM 356 CD2 LEU A 24 -1.820 7.017 11.258 1.00 0.00 C ATOM 0 H LEU A 24 -1.391 2.691 10.337 1.00 0.00 H new ATOM 0 HA LEU A 24 -3.288 4.961 10.404 1.00 0.00 H new ATOM 0 HB2 LEU A 24 -0.510 4.578 9.242 1.00 0.00 H new ATOM 0 HB3 LEU A 24 -1.528 5.943 8.829 1.00 0.00 H new ATOM 0 HG LEU A 24 -0.695 5.246 11.660 1.00 0.00 H new ATOM 0 HD11 LEU A 24 0.874 7.120 11.493 1.00 0.00 H new ATOM 0 HD12 LEU A 24 1.266 5.820 10.343 1.00 0.00 H new ATOM 0 HD13 LEU A 24 0.467 7.303 9.770 1.00 0.00 H new ATOM 0 HD21 LEU A 24 -1.457 7.545 12.140 1.00 0.00 H new ATOM 0 HD22 LEU A 24 -1.958 7.726 10.442 1.00 0.00 H new ATOM 0 HD23 LEU A 24 -2.772 6.538 11.488 1.00 0.00 H new ATOM 368 N LEU A 25 -3.209 2.640 8.302 1.00 0.00 N ATOM 369 CA LEU A 25 -3.797 2.106 7.080 1.00 0.00 C ATOM 370 C LEU A 25 -5.144 1.465 7.376 1.00 0.00 C ATOM 371 O LEU A 25 -5.934 1.199 6.472 1.00 0.00 O ATOM 372 CB LEU A 25 -2.861 1.074 6.452 1.00 0.00 C ATOM 373 CG LEU A 25 -3.326 0.494 5.121 1.00 0.00 C ATOM 374 CD1 LEU A 25 -3.434 1.588 4.069 1.00 0.00 C ATOM 375 CD2 LEU A 25 -2.381 -0.602 4.668 1.00 0.00 C ATOM 0 H LEU A 25 -2.834 1.934 8.936 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.944 2.928 6.380 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.884 1.535 6.307 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.725 0.255 7.158 1.00 0.00 H new ATOM 0 HG LEU A 25 -4.316 0.059 5.256 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.767 1.154 3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.153 2.339 4.397 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -2.459 2.056 3.929 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.724 -1.008 3.716 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -1.379 -0.191 4.547 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -2.360 -1.396 5.415 1.00 0.00 H new ATOM 387 N GLU A 26 -5.406 1.243 8.653 1.00 0.00 N ATOM 388 CA GLU A 26 -6.604 0.542 9.071 1.00 0.00 C ATOM 389 C GLU A 26 -7.846 1.377 8.805 1.00 0.00 C ATOM 390 O GLU A 26 -7.866 2.591 9.023 1.00 0.00 O ATOM 391 CB GLU A 26 -6.503 0.144 10.539 1.00 0.00 C ATOM 392 CG GLU A 26 -5.389 -0.856 10.797 1.00 0.00 C ATOM 393 CD GLU A 26 -5.461 -1.474 12.175 1.00 0.00 C ATOM 394 OE1 GLU A 26 -6.142 -2.509 12.330 1.00 0.00 O1- ATOM 395 OE2 GLU A 26 -4.830 -0.931 13.105 1.00 0.00 O ATOM 0 H GLU A 26 -4.802 1.540 9.419 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.693 -0.370 8.481 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -6.333 1.036 11.143 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.452 -0.284 10.862 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.436 -1.646 10.047 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -4.426 -0.359 10.677 1.00 0.00 H new ATOM 402 N TYR A 27 -8.873 0.709 8.326 1.00 0.00 N ATOM 403 CA TYR A 27 -10.068 1.366 7.835 1.00 0.00 C ATOM 404 C TYR A 27 -11.314 0.667 8.365 1.00 0.00 C ATOM 405 O TYR A 27 -11.217 -0.343 9.062 1.00 0.00 O ATOM 406 CB TYR A 27 -10.052 1.345 6.305 1.00 0.00 C ATOM 407 CG TYR A 27 -9.908 -0.048 5.743 1.00 0.00 C ATOM 408 CD1 TYR A 27 -8.654 -0.615 5.565 1.00 0.00 C ATOM 409 CD2 TYR A 27 -11.021 -0.808 5.418 1.00 0.00 C ATOM 410 CE1 TYR A 27 -8.516 -1.896 5.081 1.00 0.00 C ATOM 411 CE2 TYR A 27 -10.890 -2.091 4.929 1.00 0.00 C ATOM 412 CZ TYR A 27 -9.634 -2.631 4.765 1.00 0.00 C ATOM 413 OH TYR A 27 -9.495 -3.912 4.289 1.00 0.00 O ATOM 0 H TYR A 27 -8.904 -0.309 8.265 1.00 0.00 H new ATOM 0 HA TYR A 27 -10.087 2.398 8.184 1.00 0.00 H new ATOM 0 HB2 TYR A 27 -10.974 1.790 5.930 1.00 0.00 H new ATOM 0 HB3 TYR A 27 -9.230 1.964 5.946 1.00 0.00 H new ATOM 0 HD1 TYR A 27 -7.772 -0.042 5.810 1.00 0.00 H new ATOM 0 HD2 TYR A 27 -12.007 -0.388 5.550 1.00 0.00 H new ATOM 0 HE1 TYR A 27 -7.532 -2.322 4.950 1.00 0.00 H new ATOM 0 HE2 TYR A 27 -11.767 -2.668 4.676 1.00 0.00 H new ATOM 0 HH TYR A 27 -10.360 -4.370 4.326 1.00 0.00 H new ATOM 423 N GLU A 28 -12.479 1.204 8.026 1.00 0.00 N ATOM 424 CA GLU A 28 -13.747 0.660 8.484 1.00 0.00 C ATOM 425 C GLU A 28 -14.773 0.763 7.366 1.00 0.00 C ATOM 426 O GLU A 28 -15.139 1.862 6.954 1.00 0.00 O ATOM 427 CB GLU A 28 -14.235 1.415 9.723 1.00 0.00 C ATOM 428 CG GLU A 28 -13.259 1.356 10.886 1.00 0.00 C ATOM 429 CD GLU A 28 -13.739 2.105 12.111 1.00 0.00 C ATOM 430 OE1 GLU A 28 -13.899 3.338 12.038 1.00 0.00 O1- ATOM 431 OE2 GLU A 28 -13.955 1.459 13.157 1.00 0.00 O ATOM 0 H GLU A 28 -12.570 2.025 7.428 1.00 0.00 H new ATOM 0 HA GLU A 28 -13.611 -0.387 8.754 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -14.412 2.458 9.458 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -15.192 1.000 10.039 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.084 0.313 11.152 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.301 1.769 10.569 1.00 0.00 H new ATOM 438 N LEU A 29 -15.218 -0.380 6.870 1.00 0.00 N ATOM 439 CA LEU A 29 -16.104 -0.416 5.714 1.00 0.00 C ATOM 440 C LEU A 29 -17.559 -0.574 6.121 1.00 0.00 C ATOM 441 O LEU A 29 -17.896 -1.406 6.965 1.00 0.00 O ATOM 442 CB LEU A 29 -15.718 -1.567 4.787 1.00 0.00 C ATOM 443 CG LEU A 29 -14.316 -1.482 4.194 1.00 0.00 C ATOM 444 CD1 LEU A 29 -14.012 -2.722 3.379 1.00 0.00 C ATOM 445 CD2 LEU A 29 -14.174 -0.238 3.336 1.00 0.00 C ATOM 0 H LEU A 29 -14.981 -1.297 7.249 1.00 0.00 H new ATOM 0 HA LEU A 29 -15.993 0.536 5.195 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -15.805 -2.502 5.340 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -16.438 -1.611 3.970 1.00 0.00 H new ATOM 0 HG LEU A 29 -13.599 -1.419 5.013 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -13.008 -2.646 2.962 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -14.074 -3.602 4.019 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -14.735 -2.811 2.568 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -13.167 -0.195 2.922 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -14.900 -0.272 2.523 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -14.353 0.647 3.946 1.00 0.00 H new ATOM 457 N SER A 30 -18.411 0.227 5.508 1.00 0.00 N ATOM 458 CA SER A 30 -19.846 0.098 5.680 1.00 0.00 C ATOM 459 C SER A 30 -20.387 -0.910 4.677 1.00 0.00 C ATOM 460 O SER A 30 -19.646 -1.360 3.802 1.00 0.00 O ATOM 461 CB SER A 30 -20.518 1.453 5.486 1.00 0.00 C ATOM 462 OG SER A 30 -19.811 2.470 6.179 1.00 0.00 O ATOM 0 H SER A 30 -18.130 0.981 4.881 1.00 0.00 H new ATOM 0 HA SER A 30 -20.061 -0.253 6.689 1.00 0.00 H new ATOM 0 HB2 SER A 30 -20.562 1.693 4.424 1.00 0.00 H new ATOM 0 HB3 SER A 30 -21.546 1.409 5.845 1.00 0.00 H new ATOM 0 HG SER A 30 -19.199 2.922 5.561 1.00 0.00 H new ATOM 468 N GLN A 31 -21.658 -1.259 4.788 1.00 0.00 N ATOM 469 CA GLN A 31 -22.255 -2.250 3.914 1.00 0.00 C ATOM 470 C GLN A 31 -22.086 -1.865 2.446 1.00 0.00 C ATOM 471 O GLN A 31 -21.720 -2.693 1.613 1.00 0.00 O ATOM 472 CB GLN A 31 -23.731 -2.390 4.254 1.00 0.00 C ATOM 473 CG GLN A 31 -24.398 -3.568 3.587 1.00 0.00 C ATOM 474 CD GLN A 31 -23.720 -4.886 3.900 1.00 0.00 C ATOM 475 OE1 GLN A 31 -23.096 -4.971 5.062 1.00 0.00 O flip ATOM 476 NE2 GLN A 31 -23.747 -5.816 3.093 1.00 0.00 N flip ATOM 0 H GLN A 31 -22.298 -0.867 5.479 1.00 0.00 H new ATOM 0 HA GLN A 31 -21.749 -3.203 4.067 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -23.838 -2.487 5.334 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -24.250 -1.477 3.963 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -25.440 -3.617 3.905 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -24.401 -3.414 2.508 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -24.241 -5.708 2.207 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -23.276 -6.694 3.311 1.00 0.00 H new ATOM 485 N GLN A 32 -22.323 -0.594 2.152 1.00 0.00 N ATOM 486 CA GLN A 32 -22.210 -0.084 0.789 1.00 0.00 C ATOM 487 C GLN A 32 -20.768 -0.175 0.305 1.00 0.00 C ATOM 488 O GLN A 32 -20.499 -0.599 -0.818 1.00 0.00 O ATOM 489 CB GLN A 32 -22.696 1.368 0.728 1.00 0.00 C ATOM 490 CG GLN A 32 -22.576 2.008 -0.649 1.00 0.00 C ATOM 491 CD GLN A 32 -23.395 1.299 -1.716 1.00 0.00 C ATOM 492 OE1 GLN A 32 -24.525 0.729 -1.329 1.00 0.00 O flip ATOM 493 NE2 GLN A 32 -23.019 1.280 -2.887 1.00 0.00 N flip ATOM 0 H GLN A 32 -22.596 0.107 2.841 1.00 0.00 H new ATOM 0 HA GLN A 32 -22.835 -0.694 0.136 1.00 0.00 H new ATOM 0 HB2 GLN A 32 -23.739 1.404 1.044 1.00 0.00 H new ATOM 0 HB3 GLN A 32 -22.126 1.961 1.443 1.00 0.00 H new ATOM 0 HG2 GLN A 32 -22.895 3.048 -0.587 1.00 0.00 H new ATOM 0 HG3 GLN A 32 -21.528 2.014 -0.949 1.00 0.00 H new ATOM 0 HE21 GLN A 32 -22.142 1.730 -3.148 1.00 0.00 H new ATOM 0 HE22 GLN A 32 -23.584 0.814 -3.597 1.00 0.00 H new ATOM 502 N GLU A 33 -19.847 0.205 1.178 1.00 0.00 N ATOM 503 CA GLU A 33 -18.428 0.179 0.858 1.00 0.00 C ATOM 504 C GLU A 33 -17.950 -1.255 0.675 1.00 0.00 C ATOM 505 O GLU A 33 -17.023 -1.522 -0.083 1.00 0.00 O ATOM 506 CB GLU A 33 -17.633 0.867 1.965 1.00 0.00 C ATOM 507 CG GLU A 33 -18.070 2.299 2.210 1.00 0.00 C ATOM 508 CD GLU A 33 -17.333 2.943 3.361 1.00 0.00 C ATOM 509 OE1 GLU A 33 -17.767 2.768 4.519 1.00 0.00 O ATOM 510 OE2 GLU A 33 -16.328 3.632 3.113 1.00 0.00 O1- ATOM 0 H GLU A 33 -20.059 0.537 2.119 1.00 0.00 H new ATOM 0 HA GLU A 33 -18.268 0.716 -0.077 1.00 0.00 H new ATOM 0 HB2 GLU A 33 -17.740 0.298 2.888 1.00 0.00 H new ATOM 0 HB3 GLU A 33 -16.575 0.856 1.705 1.00 0.00 H new ATOM 0 HG2 GLU A 33 -17.906 2.885 1.305 1.00 0.00 H new ATOM 0 HG3 GLU A 33 -19.141 2.318 2.413 1.00 0.00 H new ATOM 517 N LYS A 34 -18.609 -2.179 1.353 1.00 0.00 N ATOM 518 CA LYS A 34 -18.266 -3.586 1.243 1.00 0.00 C ATOM 519 C LYS A 34 -18.779 -4.154 -0.070 1.00 0.00 C ATOM 520 O LYS A 34 -18.140 -5.008 -0.685 1.00 0.00 O ATOM 521 CB LYS A 34 -18.839 -4.376 2.421 1.00 0.00 C ATOM 522 CG LYS A 34 -18.067 -4.179 3.711 1.00 0.00 C ATOM 523 CD LYS A 34 -18.525 -5.148 4.785 1.00 0.00 C ATOM 524 CE LYS A 34 -17.677 -5.028 6.039 1.00 0.00 C ATOM 525 NZ LYS A 34 -18.051 -6.044 7.056 1.00 0.00 N1+ ATOM 0 H LYS A 34 -19.384 -1.980 1.985 1.00 0.00 H new ATOM 0 HA LYS A 34 -17.180 -3.676 1.264 1.00 0.00 H new ATOM 0 HB2 LYS A 34 -19.876 -4.079 2.578 1.00 0.00 H new ATOM 0 HB3 LYS A 34 -18.846 -5.436 2.169 1.00 0.00 H new ATOM 0 HG2 LYS A 34 -17.002 -4.318 3.524 1.00 0.00 H new ATOM 0 HG3 LYS A 34 -18.198 -3.156 4.062 1.00 0.00 H new ATOM 0 HD2 LYS A 34 -19.569 -4.954 5.030 1.00 0.00 H new ATOM 0 HD3 LYS A 34 -18.471 -6.168 4.404 1.00 0.00 H new ATOM 0 HE2 LYS A 34 -16.625 -5.144 5.779 1.00 0.00 H new ATOM 0 HE3 LYS A 34 -17.793 -4.030 6.462 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 -17.450 -5.930 7.897 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 -19.048 -5.917 7.323 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 -17.917 -6.997 6.661 1.00 0.00 H new ATOM 539 N ASP A 35 -19.918 -3.646 -0.509 1.00 0.00 N ATOM 540 CA ASP A 35 -20.580 -4.155 -1.701 1.00 0.00 C ATOM 541 C ASP A 35 -19.788 -3.817 -2.958 1.00 0.00 C ATOM 542 O ASP A 35 -19.766 -4.587 -3.917 1.00 0.00 O ATOM 543 CB ASP A 35 -21.989 -3.573 -1.799 1.00 0.00 C ATOM 544 CG ASP A 35 -22.845 -4.294 -2.819 1.00 0.00 C ATOM 545 OD1 ASP A 35 -23.410 -5.354 -2.475 1.00 0.00 O ATOM 546 OD2 ASP A 35 -22.970 -3.803 -3.962 1.00 0.00 O1- ATOM 0 H ASP A 35 -20.408 -2.875 -0.054 1.00 0.00 H new ATOM 0 HA ASP A 35 -20.640 -5.240 -1.621 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -22.470 -3.628 -0.822 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -21.925 -2.518 -2.064 1.00 0.00 H new ATOM 551 N VAL A 36 -19.124 -2.670 -2.949 1.00 0.00 N ATOM 552 CA VAL A 36 -18.381 -2.216 -4.115 1.00 0.00 C ATOM 553 C VAL A 36 -16.982 -2.827 -4.161 1.00 0.00 C ATOM 554 O VAL A 36 -16.376 -2.926 -5.224 1.00 0.00 O ATOM 555 CB VAL A 36 -18.276 -0.676 -4.154 1.00 0.00 C ATOM 556 CG1 VAL A 36 -19.663 -0.050 -4.191 1.00 0.00 C ATOM 557 CG2 VAL A 36 -17.485 -0.152 -2.965 1.00 0.00 C ATOM 0 H VAL A 36 -19.085 -2.038 -2.149 1.00 0.00 H new ATOM 0 HA VAL A 36 -18.937 -2.551 -4.991 1.00 0.00 H new ATOM 0 HB VAL A 36 -17.743 -0.395 -5.062 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -19.572 1.036 -4.218 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -20.193 -0.392 -5.080 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -20.219 -0.345 -3.301 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -17.427 0.935 -3.018 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -17.982 -0.444 -2.040 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -16.479 -0.571 -2.984 1.00 0.00 H new ATOM 567 N LEU A 37 -16.473 -3.238 -3.006 1.00 0.00 N ATOM 568 CA LEU A 37 -15.125 -3.792 -2.927 1.00 0.00 C ATOM 569 C LEU A 37 -15.144 -5.310 -3.022 1.00 0.00 C ATOM 570 O LEU A 37 -14.454 -5.901 -3.853 1.00 0.00 O ATOM 571 CB LEU A 37 -14.448 -3.356 -1.629 1.00 0.00 C ATOM 572 CG LEU A 37 -14.394 -1.847 -1.422 1.00 0.00 C ATOM 573 CD1 LEU A 37 -13.668 -1.504 -0.135 1.00 0.00 C ATOM 574 CD2 LEU A 37 -13.734 -1.169 -2.610 1.00 0.00 C ATOM 0 H LEU A 37 -16.969 -3.199 -2.116 1.00 0.00 H new ATOM 0 HA LEU A 37 -14.556 -3.408 -3.773 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -14.976 -3.807 -0.789 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -13.431 -3.749 -1.614 1.00 0.00 H new ATOM 0 HG LEU A 37 -15.416 -1.477 -1.341 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -13.642 -0.422 -0.009 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -14.190 -1.955 0.709 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -12.649 -1.889 -0.178 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -13.704 -0.092 -2.444 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -12.718 -1.546 -2.726 1.00 0.00 H new ATOM 0 HD23 LEU A 37 -14.305 -1.381 -3.514 1.00 0.00 H new ATOM 659 N LYS B 43 0.195 8.688 15.216 1.00 0.00 N ATOM 660 CA LYS B 43 1.320 7.798 15.013 1.00 0.00 C ATOM 661 C LYS B 43 2.085 8.176 13.764 1.00 0.00 C ATOM 662 O LYS B 43 1.547 8.795 12.848 1.00 0.00 O ATOM 663 CB LYS B 43 0.911 6.322 14.932 1.00 0.00 C ATOM 664 CG LYS B 43 -0.449 6.098 14.321 1.00 0.00 C ATOM 665 CD LYS B 43 -1.538 6.315 15.350 1.00 0.00 C ATOM 666 CE LYS B 43 -2.785 6.910 14.737 1.00 0.00 C ATOM 667 NZ LYS B 43 -3.563 5.920 13.945 1.00 0.00 N1+ ATOM 0 HA LYS B 43 1.958 7.914 15.889 1.00 0.00 H new ATOM 0 HB2 LYS B 43 1.655 5.780 14.348 1.00 0.00 H new ATOM 0 HB3 LYS B 43 0.922 5.896 15.935 1.00 0.00 H new ATOM 0 HG2 LYS B 43 -0.593 6.779 13.482 1.00 0.00 H new ATOM 0 HG3 LYS B 43 -0.513 5.085 13.924 1.00 0.00 H new ATOM 0 HD2 LYS B 43 -1.785 5.364 15.823 1.00 0.00 H new ATOM 0 HD3 LYS B 43 -1.169 6.975 16.135 1.00 0.00 H new ATOM 0 HE2 LYS B 43 -3.417 7.314 15.528 1.00 0.00 H new ATOM 0 HE3 LYS B 43 -2.506 7.745 14.094 1.00 0.00 H new ATOM 0 HZ1 LYS B 43 -4.103 6.414 13.206 1.00 0.00 H new ATOM 0 HZ2 LYS B 43 -2.912 5.241 13.502 1.00 0.00 H new ATOM 0 HZ3 LYS B 43 -4.219 5.412 14.572 1.00 0.00 H new ATOM 681 N THR B 44 3.338 7.792 13.750 1.00 0.00 N ATOM 682 CA THR B 44 4.208 8.022 12.622 1.00 0.00 C ATOM 683 C THR B 44 4.712 6.690 12.097 1.00 0.00 C ATOM 684 O THR B 44 4.391 5.641 12.661 1.00 0.00 O ATOM 685 CB THR B 44 5.394 8.917 13.016 1.00 0.00 C ATOM 686 OG1 THR B 44 5.814 8.619 14.357 1.00 0.00 O ATOM 687 CG2 THR B 44 5.024 10.388 12.905 1.00 0.00 C ATOM 0 H THR B 44 3.787 7.307 14.527 1.00 0.00 H new ATOM 0 HA THR B 44 3.644 8.534 11.842 1.00 0.00 H new ATOM 0 HB THR B 44 6.216 8.715 12.329 1.00 0.00 H new ATOM 0 HG1 THR B 44 6.571 9.193 14.598 1.00 0.00 H new ATOM 0 HG21 THR B 44 5.880 11.001 13.189 1.00 0.00 H new ATOM 0 HG22 THR B 44 4.740 10.615 11.877 1.00 0.00 H new ATOM 0 HG23 THR B 44 4.187 10.604 13.569 1.00 0.00 H new ATOM 695 N LEU B 45 5.489 6.716 11.033 1.00 0.00 N ATOM 696 CA LEU B 45 6.007 5.482 10.464 1.00 0.00 C ATOM 697 C LEU B 45 7.119 4.904 11.327 1.00 0.00 C ATOM 698 O LEU B 45 7.459 5.452 12.379 1.00 0.00 O ATOM 699 CB LEU B 45 6.496 5.694 9.031 1.00 0.00 C ATOM 700 CG LEU B 45 5.410 6.113 8.039 1.00 0.00 C ATOM 701 CD1 LEU B 45 5.932 6.056 6.617 1.00 0.00 C ATOM 702 CD2 LEU B 45 4.187 5.229 8.189 1.00 0.00 C ATOM 0 H LEU B 45 5.775 7.566 10.547 1.00 0.00 H new ATOM 0 HA LEU B 45 5.187 4.765 10.439 1.00 0.00 H new ATOM 0 HB2 LEU B 45 7.276 6.455 9.037 1.00 0.00 H new ATOM 0 HB3 LEU B 45 6.954 4.770 8.678 1.00 0.00 H new ATOM 0 HG LEU B 45 5.125 7.142 8.258 1.00 0.00 H new ATOM 0 HD11 LEU B 45 5.144 6.358 5.928 1.00 0.00 H new ATOM 0 HD12 LEU B 45 6.782 6.731 6.514 1.00 0.00 H new ATOM 0 HD13 LEU B 45 6.246 5.038 6.385 1.00 0.00 H new ATOM 0 HD21 LEU B 45 3.423 5.540 7.476 1.00 0.00 H new ATOM 0 HD22 LEU B 45 4.462 4.192 7.997 1.00 0.00 H new ATOM 0 HD23 LEU B 45 3.795 5.319 9.202 1.00 0.00 H new ATOM 714 N LYS B 46 7.686 3.802 10.877 1.00 0.00 N ATOM 715 CA LYS B 46 8.715 3.111 11.632 1.00 0.00 C ATOM 716 C LYS B 46 10.085 3.559 11.159 1.00 0.00 C ATOM 717 O LYS B 46 10.989 3.799 11.959 1.00 0.00 O ATOM 718 CB LYS B 46 8.546 1.603 11.484 1.00 0.00 C ATOM 719 CG LYS B 46 7.282 1.088 12.149 1.00 0.00 C ATOM 720 CD LYS B 46 6.565 0.079 11.275 1.00 0.00 C ATOM 721 CE LYS B 46 7.347 -1.218 11.136 1.00 0.00 C ATOM 722 NZ LYS B 46 7.411 -1.966 12.418 1.00 0.00 N1+ ATOM 0 H LYS B 46 7.450 3.363 9.987 1.00 0.00 H new ATOM 0 HA LYS B 46 8.620 3.359 12.689 1.00 0.00 H new ATOM 0 HB2 LYS B 46 8.525 1.346 10.425 1.00 0.00 H new ATOM 0 HB3 LYS B 46 9.411 1.100 11.917 1.00 0.00 H new ATOM 0 HG2 LYS B 46 7.534 0.629 13.105 1.00 0.00 H new ATOM 0 HG3 LYS B 46 6.616 1.924 12.363 1.00 0.00 H new ATOM 0 HD2 LYS B 46 5.584 -0.134 11.699 1.00 0.00 H new ATOM 0 HD3 LYS B 46 6.399 0.509 10.287 1.00 0.00 H new ATOM 0 HE2 LYS B 46 6.881 -1.843 10.374 1.00 0.00 H new ATOM 0 HE3 LYS B 46 8.358 -0.998 10.793 1.00 0.00 H new ATOM 0 HZ1 LYS B 46 7.638 -2.963 12.227 1.00 0.00 H new ATOM 0 HZ2 LYS B 46 8.148 -1.553 13.024 1.00 0.00 H new ATOM 0 HZ3 LYS B 46 6.492 -1.906 12.901 1.00 0.00 H new ATOM 736 N THR B 47 10.223 3.688 9.853 1.00 0.00 N ATOM 737 CA THR B 47 11.424 4.242 9.269 1.00 0.00 C ATOM 738 C THR B 47 11.252 5.743 9.087 1.00 0.00 C ATOM 739 O THR B 47 10.303 6.193 8.448 1.00 0.00 O ATOM 740 CB THR B 47 11.731 3.607 7.906 1.00 0.00 C ATOM 741 OG1 THR B 47 11.725 2.181 8.017 1.00 0.00 O ATOM 742 CG2 THR B 47 13.081 4.082 7.396 1.00 0.00 C ATOM 0 H THR B 47 9.512 3.414 9.175 1.00 0.00 H new ATOM 0 HA THR B 47 12.254 4.031 9.943 1.00 0.00 H new ATOM 0 HB THR B 47 10.961 3.911 7.197 1.00 0.00 H new ATOM 0 HG1 THR B 47 10.879 1.829 7.670 1.00 0.00 H new ATOM 0 HG21 THR B 47 13.286 3.624 6.428 1.00 0.00 H new ATOM 0 HG22 THR B 47 13.068 5.167 7.289 1.00 0.00 H new ATOM 0 HG23 THR B 47 13.859 3.797 8.105 1.00 0.00 H new ATOM 750 N LYS B 48 12.168 6.514 9.652 1.00 0.00 N ATOM 751 CA LYS B 48 12.092 7.957 9.585 1.00 0.00 C ATOM 752 C LYS B 48 12.273 8.445 8.154 1.00 0.00 C ATOM 753 O LYS B 48 11.671 9.438 7.746 1.00 0.00 O ATOM 754 CB LYS B 48 13.148 8.575 10.494 1.00 0.00 C ATOM 755 CG LYS B 48 13.014 10.070 10.631 1.00 0.00 C ATOM 756 CD LYS B 48 11.664 10.437 11.209 1.00 0.00 C ATOM 757 CE LYS B 48 11.441 11.918 11.114 1.00 0.00 C ATOM 758 NZ LYS B 48 10.100 12.316 11.609 1.00 0.00 N1+ ATOM 0 H LYS B 48 12.975 6.158 10.164 1.00 0.00 H new ATOM 0 HA LYS B 48 11.104 8.268 9.925 1.00 0.00 H new ATOM 0 HB2 LYS B 48 13.080 8.119 11.482 1.00 0.00 H new ATOM 0 HB3 LYS B 48 14.138 8.340 10.102 1.00 0.00 H new ATOM 0 HG2 LYS B 48 13.806 10.453 11.274 1.00 0.00 H new ATOM 0 HG3 LYS B 48 13.138 10.542 9.656 1.00 0.00 H new ATOM 0 HD2 LYS B 48 10.876 9.909 10.673 1.00 0.00 H new ATOM 0 HD3 LYS B 48 11.609 10.120 12.250 1.00 0.00 H new ATOM 0 HE2 LYS B 48 12.208 12.437 11.690 1.00 0.00 H new ATOM 0 HE3 LYS B 48 11.552 12.235 10.077 1.00 0.00 H new ATOM 0 HZ1 LYS B 48 9.917 13.308 11.356 1.00 0.00 H new ATOM 0 HZ2 LYS B 48 9.376 11.709 11.176 1.00 0.00 H new ATOM 0 HZ3 LYS B 48 10.066 12.211 12.643 1.00 0.00 H new ATOM 772 N ALA B 49 13.100 7.733 7.398 1.00 0.00 N ATOM 773 CA ALA B 49 13.298 8.034 5.988 1.00 0.00 C ATOM 774 C ALA B 49 11.988 7.897 5.221 1.00 0.00 C ATOM 775 O ALA B 49 11.772 8.571 4.220 1.00 0.00 O ATOM 776 CB ALA B 49 14.362 7.122 5.396 1.00 0.00 C ATOM 0 H ALA B 49 13.645 6.942 7.740 1.00 0.00 H new ATOM 0 HA ALA B 49 13.639 9.066 5.900 1.00 0.00 H new ATOM 0 HB1 ALA B 49 14.499 7.359 4.341 1.00 0.00 H new ATOM 0 HB2 ALA B 49 15.303 7.269 5.926 1.00 0.00 H new ATOM 0 HB3 ALA B 49 14.048 6.083 5.496 1.00 0.00 H new ATOM 782 N PHE B 50 11.116 7.029 5.721 1.00 0.00 N ATOM 783 CA PHE B 50 9.799 6.817 5.137 1.00 0.00 C ATOM 784 C PHE B 50 8.803 7.822 5.698 1.00 0.00 C ATOM 785 O PHE B 50 8.009 8.406 4.959 1.00 0.00 O ATOM 786 CB PHE B 50 9.307 5.400 5.436 1.00 0.00 C ATOM 787 CG PHE B 50 9.821 4.346 4.500 1.00 0.00 C ATOM 788 CD1 PHE B 50 11.124 4.372 4.030 1.00 0.00 C ATOM 789 CD2 PHE B 50 8.987 3.321 4.096 1.00 0.00 C ATOM 790 CE1 PHE B 50 11.584 3.393 3.169 1.00 0.00 C ATOM 791 CE2 PHE B 50 9.438 2.338 3.236 1.00 0.00 C ATOM 792 CZ PHE B 50 10.738 2.374 2.772 1.00 0.00 C ATOM 0 H PHE B 50 11.303 6.453 6.542 1.00 0.00 H new ATOM 0 HA PHE B 50 9.879 6.952 4.058 1.00 0.00 H new ATOM 0 HB2 PHE B 50 9.598 5.136 6.453 1.00 0.00 H new ATOM 0 HB3 PHE B 50 8.217 5.394 5.404 1.00 0.00 H new ATOM 0 HD1 PHE B 50 11.788 5.166 4.340 1.00 0.00 H new ATOM 0 HD2 PHE B 50 7.970 3.288 4.457 1.00 0.00 H new ATOM 0 HE1 PHE B 50 12.601 3.424 2.808 1.00 0.00 H new ATOM 0 HE2 PHE B 50 8.775 1.543 2.927 1.00 0.00 H new ATOM 0 HZ PHE B 50 11.094 1.607 2.100 1.00 0.00 H new ATOM 802 N ASP B 51 8.860 8.007 7.017 1.00 0.00 N ATOM 803 CA ASP B 51 7.950 8.905 7.727 1.00 0.00 C ATOM 804 C ASP B 51 7.972 10.300 7.118 1.00 0.00 C ATOM 805 O ASP B 51 6.942 10.968 7.036 1.00 0.00 O ATOM 806 CB ASP B 51 8.330 8.985 9.208 1.00 0.00 C ATOM 807 CG ASP B 51 7.424 9.911 9.993 1.00 0.00 C ATOM 808 OD1 ASP B 51 6.201 9.667 10.022 1.00 0.00 O ATOM 809 OD2 ASP B 51 7.942 10.873 10.610 1.00 0.00 O1- ATOM 0 H ASP B 51 9.536 7.540 7.621 1.00 0.00 H new ATOM 0 HA ASP B 51 6.942 8.501 7.634 1.00 0.00 H new ATOM 0 HB2 ASP B 51 8.289 7.987 9.644 1.00 0.00 H new ATOM 0 HB3 ASP B 51 9.360 9.330 9.297 1.00 0.00 H new ATOM 814 N ASP B 52 9.155 10.717 6.676 1.00 0.00 N ATOM 815 CA ASP B 52 9.338 12.024 6.055 1.00 0.00 C ATOM 816 C ASP B 52 8.338 12.245 4.925 1.00 0.00 C ATOM 817 O ASP B 52 7.611 13.235 4.917 1.00 0.00 O ATOM 818 CB ASP B 52 10.760 12.161 5.512 1.00 0.00 C ATOM 819 CG ASP B 52 11.019 13.529 4.913 1.00 0.00 C ATOM 820 OD1 ASP B 52 11.372 14.455 5.672 1.00 0.00 O ATOM 821 OD2 ASP B 52 10.876 13.686 3.682 1.00 0.00 O1- ATOM 0 H ASP B 52 10.009 10.162 6.738 1.00 0.00 H new ATOM 0 HA ASP B 52 9.167 12.780 6.821 1.00 0.00 H new ATOM 0 HB2 ASP B 52 11.473 11.978 6.316 1.00 0.00 H new ATOM 0 HB3 ASP B 52 10.932 11.397 4.754 1.00 0.00 H new ATOM 826 N ILE B 53 8.281 11.303 3.991 1.00 0.00 N ATOM 827 CA ILE B 53 7.390 11.425 2.843 1.00 0.00 C ATOM 828 C ILE B 53 5.934 11.407 3.286 1.00 0.00 C ATOM 829 O ILE B 53 5.117 12.176 2.785 1.00 0.00 O ATOM 830 CB ILE B 53 7.610 10.297 1.813 1.00 0.00 C ATOM 831 CG1 ILE B 53 9.054 10.291 1.316 1.00 0.00 C ATOM 832 CG2 ILE B 53 6.650 10.439 0.641 1.00 0.00 C ATOM 833 CD1 ILE B 53 9.907 9.220 1.944 1.00 0.00 C ATOM 0 H ILE B 53 8.839 10.449 4.005 1.00 0.00 H new ATOM 0 HA ILE B 53 7.624 12.378 2.369 1.00 0.00 H new ATOM 0 HB ILE B 53 7.411 9.347 2.309 1.00 0.00 H new ATOM 0 HG12 ILE B 53 9.056 10.157 0.234 1.00 0.00 H new ATOM 0 HG13 ILE B 53 9.502 11.264 1.517 1.00 0.00 H new ATOM 0 HG21 ILE B 53 6.824 9.633 -0.072 1.00 0.00 H new ATOM 0 HG22 ILE B 53 5.623 10.388 1.003 1.00 0.00 H new ATOM 0 HG23 ILE B 53 6.814 11.399 0.151 1.00 0.00 H new ATOM 0 HD11 ILE B 53 10.918 9.278 1.542 1.00 0.00 H new ATOM 0 HD12 ILE B 53 9.937 9.365 3.024 1.00 0.00 H new ATOM 0 HD13 ILE B 53 9.484 8.241 1.721 1.00 0.00 H new ATOM 845 N TYR B 54 5.625 10.546 4.247 1.00 0.00 N ATOM 846 CA TYR B 54 4.256 10.400 4.726 1.00 0.00 C ATOM 847 C TYR B 54 3.738 11.714 5.305 1.00 0.00 C ATOM 848 O TYR B 54 2.552 12.023 5.204 1.00 0.00 O ATOM 849 CB TYR B 54 4.168 9.289 5.776 1.00 0.00 C ATOM 850 CG TYR B 54 2.752 8.979 6.208 1.00 0.00 C ATOM 851 CD1 TYR B 54 1.852 8.399 5.323 1.00 0.00 C ATOM 852 CD2 TYR B 54 2.313 9.271 7.493 1.00 0.00 C ATOM 853 CE1 TYR B 54 0.557 8.120 5.706 1.00 0.00 C ATOM 854 CE2 TYR B 54 1.016 8.991 7.884 1.00 0.00 C ATOM 855 CZ TYR B 54 0.143 8.416 6.985 1.00 0.00 C ATOM 856 OH TYR B 54 -1.151 8.138 7.366 1.00 0.00 O ATOM 0 H TYR B 54 6.302 9.939 4.709 1.00 0.00 H new ATOM 0 HA TYR B 54 3.630 10.128 3.876 1.00 0.00 H new ATOM 0 HB2 TYR B 54 4.624 8.384 5.375 1.00 0.00 H new ATOM 0 HB3 TYR B 54 4.751 9.579 6.650 1.00 0.00 H new ATOM 0 HD1 TYR B 54 2.172 8.163 4.319 1.00 0.00 H new ATOM 0 HD2 TYR B 54 2.995 9.724 8.198 1.00 0.00 H new ATOM 0 HE1 TYR B 54 -0.130 7.671 5.005 1.00 0.00 H new ATOM 0 HE2 TYR B 54 0.689 9.221 8.887 1.00 0.00 H new ATOM 0 HH TYR B 54 -1.772 8.675 6.831 1.00 0.00 H new ATOM 866 N GLN B 55 4.630 12.491 5.902 1.00 0.00 N ATOM 867 CA GLN B 55 4.248 13.771 6.484 1.00 0.00 C ATOM 868 C GLN B 55 4.327 14.888 5.444 1.00 0.00 C ATOM 869 O GLN B 55 3.746 15.959 5.625 1.00 0.00 O ATOM 870 CB GLN B 55 5.148 14.118 7.674 1.00 0.00 C ATOM 871 CG GLN B 55 5.285 13.006 8.706 1.00 0.00 C ATOM 872 CD GLN B 55 3.960 12.531 9.272 1.00 0.00 C ATOM 873 OE1 GLN B 55 2.988 13.286 9.348 1.00 0.00 O ATOM 874 NE2 GLN B 55 3.918 11.277 9.695 1.00 0.00 N ATOM 0 H GLN B 55 5.619 12.260 5.996 1.00 0.00 H new ATOM 0 HA GLN B 55 3.218 13.681 6.830 1.00 0.00 H new ATOM 0 HB2 GLN B 55 6.139 14.375 7.301 1.00 0.00 H new ATOM 0 HB3 GLN B 55 4.752 15.007 8.166 1.00 0.00 H new ATOM 0 HG2 GLN B 55 5.799 12.160 8.249 1.00 0.00 H new ATOM 0 HG3 GLN B 55 5.914 13.357 9.524 1.00 0.00 H new ATOM 0 HE21 GLN B 55 4.744 10.684 9.615 1.00 0.00 H new ATOM 0 HE22 GLN B 55 3.060 10.904 10.101 1.00 0.00 H new ATOM 883 N ASN B 56 5.036 14.630 4.352 1.00 0.00 N ATOM 884 CA ASN B 56 5.276 15.646 3.330 1.00 0.00 C ATOM 885 C ASN B 56 4.567 15.319 2.021 1.00 0.00 C ATOM 886 O ASN B 56 5.070 15.626 0.939 1.00 0.00 O ATOM 887 CB ASN B 56 6.776 15.800 3.075 1.00 0.00 C ATOM 888 CG ASN B 56 7.470 16.573 4.178 1.00 0.00 C ATOM 889 OD1 ASN B 56 7.589 17.796 4.114 1.00 0.00 O ATOM 890 ND2 ASN B 56 7.932 15.869 5.194 1.00 0.00 N ATOM 0 H ASN B 56 5.457 13.723 4.149 1.00 0.00 H new ATOM 0 HA ASN B 56 4.869 16.584 3.708 1.00 0.00 H new ATOM 0 HB2 ASN B 56 7.230 14.813 2.985 1.00 0.00 H new ATOM 0 HB3 ASN B 56 6.930 16.310 2.124 1.00 0.00 H new ATOM 0 HD21 ASN B 56 8.408 16.338 5.965 1.00 0.00 H new ATOM 0 HD22 ASN B 56 7.813 14.856 5.209 1.00 0.00 H new ATOM 897 N SER B 57 3.411 14.685 2.112 1.00 0.00 N ATOM 898 CA SER B 57 2.624 14.375 0.932 1.00 0.00 C ATOM 899 C SER B 57 1.134 14.425 1.246 1.00 0.00 C ATOM 900 O SER B 57 0.497 13.397 1.484 1.00 0.00 O ATOM 901 CB SER B 57 3.012 13.004 0.372 1.00 0.00 C ATOM 902 OG SER B 57 4.352 13.007 -0.090 1.00 0.00 O ATOM 0 H SER B 57 2.997 14.375 2.991 1.00 0.00 H new ATOM 0 HA SER B 57 2.836 15.129 0.174 1.00 0.00 H new ATOM 0 HB2 SER B 57 2.891 12.244 1.144 1.00 0.00 H new ATOM 0 HB3 SER B 57 2.342 12.738 -0.445 1.00 0.00 H new ATOM 0 HG SER B 57 4.950 12.745 0.640 1.00 0.00 H new ATOM 908 N ALA B 58 0.585 15.632 1.241 1.00 0.00 N ATOM 909 CA ALA B 58 -0.832 15.834 1.515 1.00 0.00 C ATOM 910 C ALA B 58 -1.691 15.189 0.435 1.00 0.00 C ATOM 911 O ALA B 58 -2.782 14.691 0.708 1.00 0.00 O ATOM 912 CB ALA B 58 -1.141 17.321 1.629 1.00 0.00 C ATOM 0 H ALA B 58 1.102 16.490 1.049 1.00 0.00 H new ATOM 0 HA ALA B 58 -1.069 15.355 2.465 1.00 0.00 H new ATOM 0 HB1 ALA B 58 -2.203 17.457 1.834 1.00 0.00 H new ATOM 0 HB2 ALA B 58 -0.556 17.753 2.441 1.00 0.00 H new ATOM 0 HB3 ALA B 58 -0.885 17.819 0.694 1.00 0.00 H new ATOM 918 N GLU B 59 -1.171 15.172 -0.788 1.00 0.00 N ATOM 919 CA GLU B 59 -1.883 14.591 -1.917 1.00 0.00 C ATOM 920 C GLU B 59 -1.902 13.070 -1.809 1.00 0.00 C ATOM 921 O GLU B 59 -2.716 12.397 -2.436 1.00 0.00 O ATOM 922 CB GLU B 59 -1.250 15.047 -3.232 1.00 0.00 C ATOM 923 CG GLU B 59 0.244 14.793 -3.318 1.00 0.00 C ATOM 924 CD GLU B 59 0.893 15.567 -4.442 1.00 0.00 C ATOM 925 OE1 GLU B 59 0.887 15.081 -5.593 1.00 0.00 O1- ATOM 926 OE2 GLU B 59 1.407 16.673 -4.175 1.00 0.00 O ATOM 0 H GLU B 59 -0.255 15.556 -1.021 1.00 0.00 H new ATOM 0 HA GLU B 59 -2.916 14.939 -1.901 1.00 0.00 H new ATOM 0 HB2 GLU B 59 -1.744 14.535 -4.058 1.00 0.00 H new ATOM 0 HB3 GLU B 59 -1.435 16.113 -3.362 1.00 0.00 H new ATOM 0 HG2 GLU B 59 0.712 15.068 -2.373 1.00 0.00 H new ATOM 0 HG3 GLU B 59 0.421 13.727 -3.464 1.00 0.00 H new ATOM 933 N LEU B 60 -0.988 12.539 -1.014 1.00 0.00 N ATOM 934 CA LEU B 60 -0.975 11.120 -0.708 1.00 0.00 C ATOM 935 C LEU B 60 -1.927 10.827 0.444 1.00 0.00 C ATOM 936 O LEU B 60 -2.732 9.897 0.388 1.00 0.00 O ATOM 937 CB LEU B 60 0.430 10.678 -0.319 1.00 0.00 C ATOM 938 CG LEU B 60 0.554 9.200 0.025 1.00 0.00 C ATOM 939 CD1 LEU B 60 1.104 8.429 -1.159 1.00 0.00 C ATOM 940 CD2 LEU B 60 1.417 9.016 1.258 1.00 0.00 C ATOM 0 H LEU B 60 -0.242 13.073 -0.567 1.00 0.00 H new ATOM 0 HA LEU B 60 -1.294 10.572 -1.595 1.00 0.00 H new ATOM 0 HB2 LEU B 60 1.109 10.905 -1.141 1.00 0.00 H new ATOM 0 HB3 LEU B 60 0.758 11.266 0.538 1.00 0.00 H new ATOM 0 HG LEU B 60 -0.436 8.803 0.250 1.00 0.00 H new ATOM 0 HD11 LEU B 60 1.187 7.374 -0.899 1.00 0.00 H new ATOM 0 HD12 LEU B 60 0.432 8.541 -2.010 1.00 0.00 H new ATOM 0 HD13 LEU B 60 2.088 8.817 -1.420 1.00 0.00 H new ATOM 0 HD21 LEU B 60 1.496 7.954 1.491 1.00 0.00 H new ATOM 0 HD22 LEU B 60 2.411 9.421 1.070 1.00 0.00 H new ATOM 0 HD23 LEU B 60 0.965 9.540 2.100 1.00 0.00 H new ATOM 952 N GLN B 61 -1.828 11.648 1.487 1.00 0.00 N ATOM 953 CA GLN B 61 -2.616 11.481 2.697 1.00 0.00 C ATOM 954 C GLN B 61 -4.111 11.561 2.397 1.00 0.00 C ATOM 955 O GLN B 61 -4.928 10.959 3.098 1.00 0.00 O ATOM 956 CB GLN B 61 -2.235 12.560 3.716 1.00 0.00 C ATOM 957 CG GLN B 61 -2.854 12.345 5.084 1.00 0.00 C ATOM 958 CD GLN B 61 -2.256 11.158 5.805 1.00 0.00 C ATOM 959 OE1 GLN B 61 -2.752 9.972 5.500 1.00 0.00 O flip ATOM 960 NE2 GLN B 61 -1.328 11.302 6.600 1.00 0.00 N flip ATOM 0 H GLN B 61 -1.196 12.448 1.513 1.00 0.00 H new ATOM 0 HA GLN B 61 -2.403 10.495 3.109 1.00 0.00 H new ATOM 0 HB2 GLN B 61 -1.150 12.586 3.817 1.00 0.00 H new ATOM 0 HB3 GLN B 61 -2.544 13.534 3.335 1.00 0.00 H new ATOM 0 HG2 GLN B 61 -2.715 13.242 5.688 1.00 0.00 H new ATOM 0 HG3 GLN B 61 -3.928 12.197 4.975 1.00 0.00 H new ATOM 0 HE21 GLN B 61 -0.975 12.236 6.808 1.00 0.00 H new ATOM 0 HE22 GLN B 61 -0.912 10.487 7.051 1.00 0.00 H new ATOM 969 N GLU B 62 -4.454 12.292 1.343 1.00 0.00 N ATOM 970 CA GLU B 62 -5.852 12.487 0.973 1.00 0.00 C ATOM 971 C GLU B 62 -6.417 11.226 0.331 1.00 0.00 C ATOM 972 O GLU B 62 -7.618 10.963 0.403 1.00 0.00 O ATOM 973 CB GLU B 62 -6.008 13.681 0.023 1.00 0.00 C ATOM 974 CG GLU B 62 -5.425 13.453 -1.361 1.00 0.00 C ATOM 975 CD GLU B 62 -5.655 14.625 -2.291 1.00 0.00 C ATOM 976 OE1 GLU B 62 -6.758 14.723 -2.868 1.00 0.00 O ATOM 977 OE2 GLU B 62 -4.738 15.452 -2.453 1.00 0.00 O1- ATOM 0 H GLU B 62 -3.785 12.759 0.730 1.00 0.00 H new ATOM 0 HA GLU B 62 -6.413 12.698 1.883 1.00 0.00 H new ATOM 0 HB2 GLU B 62 -7.068 13.917 -0.075 1.00 0.00 H new ATOM 0 HB3 GLU B 62 -5.527 14.552 0.469 1.00 0.00 H new ATOM 0 HG2 GLU B 62 -4.354 13.268 -1.274 1.00 0.00 H new ATOM 0 HG3 GLU B 62 -5.869 12.557 -1.795 1.00 0.00 H new ATOM 984 N LEU B 63 -5.540 10.439 -0.281 1.00 0.00 N ATOM 985 CA LEU B 63 -5.946 9.192 -0.908 1.00 0.00 C ATOM 986 C LEU B 63 -6.190 8.144 0.164 1.00 0.00 C ATOM 987 O LEU B 63 -7.033 7.261 0.016 1.00 0.00 O ATOM 988 CB LEU B 63 -4.874 8.714 -1.891 1.00 0.00 C ATOM 989 CG LEU B 63 -4.532 9.706 -3.006 1.00 0.00 C ATOM 990 CD1 LEU B 63 -3.325 9.227 -3.791 1.00 0.00 C ATOM 991 CD2 LEU B 63 -5.721 9.905 -3.936 1.00 0.00 C ATOM 0 H LEU B 63 -4.544 10.644 -0.355 1.00 0.00 H new ATOM 0 HA LEU B 63 -6.868 9.355 -1.466 1.00 0.00 H new ATOM 0 HB2 LEU B 63 -3.965 8.489 -1.333 1.00 0.00 H new ATOM 0 HB3 LEU B 63 -5.208 7.781 -2.345 1.00 0.00 H new ATOM 0 HG LEU B 63 -4.292 10.664 -2.546 1.00 0.00 H new ATOM 0 HD11 LEU B 63 -3.096 9.944 -4.579 1.00 0.00 H new ATOM 0 HD12 LEU B 63 -2.469 9.137 -3.123 1.00 0.00 H new ATOM 0 HD13 LEU B 63 -3.542 8.256 -4.236 1.00 0.00 H new ATOM 0 HD21 LEU B 63 -5.455 10.614 -4.720 1.00 0.00 H new ATOM 0 HD22 LEU B 63 -5.994 8.951 -4.387 1.00 0.00 H new ATOM 0 HD23 LEU B 63 -6.566 10.293 -3.368 1.00 0.00 H new ATOM 1003 N LEU B 64 -5.469 8.285 1.270 1.00 0.00 N ATOM 1004 CA LEU B 64 -5.616 7.394 2.413 1.00 0.00 C ATOM 1005 C LEU B 64 -6.830 7.772 3.256 1.00 0.00 C ATOM 1006 O LEU B 64 -6.956 7.352 4.405 1.00 0.00 O ATOM 1007 CB LEU B 64 -4.351 7.423 3.271 1.00 0.00 C ATOM 1008 CG LEU B 64 -3.136 6.735 2.654 1.00 0.00 C ATOM 1009 CD1 LEU B 64 -1.881 7.085 3.429 1.00 0.00 C ATOM 1010 CD2 LEU B 64 -3.338 5.227 2.627 1.00 0.00 C ATOM 0 H LEU B 64 -4.770 9.016 1.399 1.00 0.00 H new ATOM 0 HA LEU B 64 -5.769 6.383 2.034 1.00 0.00 H new ATOM 0 HB2 LEU B 64 -4.095 8.462 3.478 1.00 0.00 H new ATOM 0 HB3 LEU B 64 -4.569 6.951 4.229 1.00 0.00 H new ATOM 0 HG LEU B 64 -3.021 7.088 1.629 1.00 0.00 H new ATOM 0 HD11 LEU B 64 -1.023 6.587 2.977 1.00 0.00 H new ATOM 0 HD12 LEU B 64 -1.728 8.164 3.406 1.00 0.00 H new ATOM 0 HD13 LEU B 64 -1.988 6.756 4.463 1.00 0.00 H new ATOM 0 HD21 LEU B 64 -2.463 4.751 2.184 1.00 0.00 H new ATOM 0 HD22 LEU B 64 -3.475 4.860 3.644 1.00 0.00 H new ATOM 0 HD23 LEU B 64 -4.220 4.989 2.033 1.00 0.00 H new ATOM 1022 N LYS B 65 -7.706 8.587 2.688 1.00 0.00 N ATOM 1023 CA LYS B 65 -8.979 8.899 3.319 1.00 0.00 C ATOM 1024 C LYS B 65 -10.082 8.050 2.703 1.00 0.00 C ATOM 1025 O LYS B 65 -11.155 7.885 3.278 1.00 0.00 O ATOM 1026 CB LYS B 65 -9.316 10.382 3.161 1.00 0.00 C ATOM 1027 CG LYS B 65 -8.399 11.313 3.936 1.00 0.00 C ATOM 1028 CD LYS B 65 -8.527 11.100 5.435 1.00 0.00 C ATOM 1029 CE LYS B 65 -7.695 12.103 6.215 1.00 0.00 C ATOM 1030 NZ LYS B 65 -6.244 11.973 5.924 1.00 0.00 N1+ ATOM 0 H LYS B 65 -7.558 9.045 1.789 1.00 0.00 H new ATOM 0 HA LYS B 65 -8.900 8.676 4.383 1.00 0.00 H new ATOM 0 HB2 LYS B 65 -9.271 10.643 2.104 1.00 0.00 H new ATOM 0 HB3 LYS B 65 -10.343 10.547 3.487 1.00 0.00 H new ATOM 0 HG2 LYS B 65 -7.366 11.145 3.631 1.00 0.00 H new ATOM 0 HG3 LYS B 65 -8.639 12.348 3.693 1.00 0.00 H new ATOM 0 HD2 LYS B 65 -9.573 11.188 5.728 1.00 0.00 H new ATOM 0 HD3 LYS B 65 -8.210 10.088 5.688 1.00 0.00 H new ATOM 0 HE2 LYS B 65 -8.024 13.113 5.971 1.00 0.00 H new ATOM 0 HE3 LYS B 65 -7.864 11.961 7.282 1.00 0.00 H new ATOM 0 HZ1 LYS B 65 -5.699 12.141 6.794 1.00 0.00 H new ATOM 0 HZ2 LYS B 65 -6.045 11.015 5.570 1.00 0.00 H new ATOM 0 HZ3 LYS B 65 -5.970 12.672 5.204 1.00 0.00 H new ATOM 1044 N TYR B 66 -9.800 7.501 1.529 1.00 0.00 N ATOM 1045 CA TYR B 66 -10.762 6.666 0.830 1.00 0.00 C ATOM 1046 C TYR B 66 -10.593 5.217 1.256 1.00 0.00 C ATOM 1047 O TYR B 66 -9.507 4.644 1.130 1.00 0.00 O ATOM 1048 CB TYR B 66 -10.580 6.784 -0.683 1.00 0.00 C ATOM 1049 CG TYR B 66 -10.629 8.203 -1.201 1.00 0.00 C ATOM 1050 CD1 TYR B 66 -11.828 8.898 -1.278 1.00 0.00 C ATOM 1051 CD2 TYR B 66 -9.471 8.844 -1.617 1.00 0.00 C ATOM 1052 CE1 TYR B 66 -11.869 10.194 -1.755 1.00 0.00 C ATOM 1053 CE2 TYR B 66 -9.504 10.138 -2.093 1.00 0.00 C ATOM 1054 CZ TYR B 66 -10.704 10.809 -2.161 1.00 0.00 C ATOM 1055 OH TYR B 66 -10.737 12.100 -2.632 1.00 0.00 O ATOM 0 H TYR B 66 -8.912 7.620 1.042 1.00 0.00 H new ATOM 0 HA TYR B 66 -11.766 7.005 1.087 1.00 0.00 H new ATOM 0 HB2 TYR B 66 -9.623 6.341 -0.959 1.00 0.00 H new ATOM 0 HB3 TYR B 66 -11.356 6.201 -1.178 1.00 0.00 H new ATOM 0 HD1 TYR B 66 -12.742 8.419 -0.960 1.00 0.00 H new ATOM 0 HD2 TYR B 66 -8.528 8.321 -1.567 1.00 0.00 H new ATOM 0 HE1 TYR B 66 -12.809 10.723 -1.810 1.00 0.00 H new ATOM 0 HE2 TYR B 66 -8.593 10.623 -2.411 1.00 0.00 H new ATOM 0 HH TYR B 66 -9.831 12.383 -2.875 1.00 0.00 H new ATOM 1065 N ASN B 67 -11.669 4.626 1.748 1.00 0.00 N ATOM 1066 CA ASN B 67 -11.636 3.261 2.260 1.00 0.00 C ATOM 1067 C ASN B 67 -11.429 2.248 1.138 1.00 0.00 C ATOM 1068 O ASN B 67 -11.015 1.122 1.388 1.00 0.00 O ATOM 1069 CB ASN B 67 -12.919 2.947 3.028 1.00 0.00 C ATOM 1070 CG ASN B 67 -13.030 3.736 4.316 1.00 0.00 C ATOM 1071 OD1 ASN B 67 -12.025 4.038 4.962 1.00 0.00 O ATOM 1072 ND2 ASN B 67 -14.248 4.082 4.698 1.00 0.00 N ATOM 0 H ASN B 67 -12.584 5.072 1.805 1.00 0.00 H new ATOM 0 HA ASN B 67 -10.788 3.183 2.941 1.00 0.00 H new ATOM 0 HB2 ASN B 67 -13.780 3.166 2.396 1.00 0.00 H new ATOM 0 HB3 ASN B 67 -12.952 1.881 3.254 1.00 0.00 H new ATOM 0 HD21 ASN B 67 -14.380 4.618 5.555 1.00 0.00 H new ATOM 0 HD22 ASN B 67 -15.055 3.813 4.135 1.00 0.00 H new ATOM 1079 N THR B 68 -11.705 2.661 -0.093 1.00 0.00 N ATOM 1080 CA THR B 68 -11.451 1.826 -1.261 1.00 0.00 C ATOM 1081 C THR B 68 -9.950 1.670 -1.439 1.00 0.00 C ATOM 1082 O THR B 68 -9.427 0.568 -1.617 1.00 0.00 O ATOM 1083 CB THR B 68 -12.064 2.466 -2.528 1.00 0.00 C ATOM 1084 OG1 THR B 68 -13.487 2.548 -2.393 1.00 0.00 O ATOM 1085 CG2 THR B 68 -11.711 1.679 -3.783 1.00 0.00 C ATOM 0 H THR B 68 -12.107 3.573 -0.309 1.00 0.00 H new ATOM 0 HA THR B 68 -11.912 0.850 -1.111 1.00 0.00 H new ATOM 0 HB THR B 68 -11.645 3.467 -2.631 1.00 0.00 H new ATOM 0 HG1 THR B 68 -13.869 2.956 -3.198 1.00 0.00 H new ATOM 0 HG21 THR B 68 -12.160 2.160 -4.652 1.00 0.00 H new ATOM 0 HG22 THR B 68 -10.628 1.651 -3.902 1.00 0.00 H new ATOM 0 HG23 THR B 68 -12.092 0.662 -3.694 1.00 0.00 H new ATOM 1093 N VAL B 69 -9.271 2.797 -1.336 1.00 0.00 N ATOM 1094 CA VAL B 69 -7.828 2.861 -1.448 1.00 0.00 C ATOM 1095 C VAL B 69 -7.174 2.061 -0.336 1.00 0.00 C ATOM 1096 O VAL B 69 -6.414 1.123 -0.587 1.00 0.00 O ATOM 1097 CB VAL B 69 -7.371 4.324 -1.362 1.00 0.00 C ATOM 1098 CG1 VAL B 69 -5.866 4.440 -1.485 1.00 0.00 C ATOM 1099 CG2 VAL B 69 -8.063 5.143 -2.431 1.00 0.00 C ATOM 0 H VAL B 69 -9.711 3.702 -1.171 1.00 0.00 H new ATOM 0 HA VAL B 69 -7.532 2.438 -2.408 1.00 0.00 H new ATOM 0 HB VAL B 69 -7.649 4.714 -0.383 1.00 0.00 H new ATOM 0 HG11 VAL B 69 -5.575 5.489 -1.420 1.00 0.00 H new ATOM 0 HG12 VAL B 69 -5.391 3.881 -0.679 1.00 0.00 H new ATOM 0 HG13 VAL B 69 -5.547 4.034 -2.445 1.00 0.00 H new ATOM 0 HG21 VAL B 69 -7.734 6.180 -2.364 1.00 0.00 H new ATOM 0 HG22 VAL B 69 -7.811 4.745 -3.414 1.00 0.00 H new ATOM 0 HG23 VAL B 69 -9.142 5.094 -2.285 1.00 0.00 H new ATOM 1109 N LYS B 70 -7.508 2.432 0.890 1.00 0.00 N ATOM 1110 CA LYS B 70 -6.964 1.785 2.083 1.00 0.00 C ATOM 1111 C LYS B 70 -7.224 0.278 2.072 1.00 0.00 C ATOM 1112 O LYS B 70 -6.401 -0.498 2.547 1.00 0.00 O ATOM 1113 CB LYS B 70 -7.565 2.407 3.348 1.00 0.00 C ATOM 1114 CG LYS B 70 -7.394 3.916 3.425 1.00 0.00 C ATOM 1115 CD LYS B 70 -8.021 4.494 4.685 1.00 0.00 C ATOM 1116 CE LYS B 70 -7.221 4.142 5.929 1.00 0.00 C ATOM 1117 NZ LYS B 70 -7.795 4.763 7.151 1.00 0.00 N1+ ATOM 0 H LYS B 70 -8.162 3.188 1.090 1.00 0.00 H new ATOM 0 HA LYS B 70 -5.886 1.943 2.080 1.00 0.00 H new ATOM 0 HB2 LYS B 70 -8.628 2.168 3.391 1.00 0.00 H new ATOM 0 HB3 LYS B 70 -7.100 1.952 4.223 1.00 0.00 H new ATOM 0 HG2 LYS B 70 -6.333 4.163 3.402 1.00 0.00 H new ATOM 0 HG3 LYS B 70 -7.848 4.378 2.549 1.00 0.00 H new ATOM 0 HD2 LYS B 70 -8.090 5.578 4.592 1.00 0.00 H new ATOM 0 HD3 LYS B 70 -9.039 4.118 4.789 1.00 0.00 H new ATOM 0 HE2 LYS B 70 -7.195 3.059 6.050 1.00 0.00 H new ATOM 0 HE3 LYS B 70 -6.190 4.473 5.803 1.00 0.00 H new ATOM 0 HZ1 LYS B 70 -7.184 5.545 7.463 1.00 0.00 H new ATOM 0 HZ2 LYS B 70 -8.746 5.129 6.941 1.00 0.00 H new ATOM 0 HZ3 LYS B 70 -7.857 4.050 7.906 1.00 0.00 H new ATOM 1131 N PHE B 71 -8.360 -0.127 1.510 1.00 0.00 N ATOM 1132 CA PHE B 71 -8.724 -1.539 1.447 1.00 0.00 C ATOM 1133 C PHE B 71 -7.728 -2.317 0.599 1.00 0.00 C ATOM 1134 O PHE B 71 -7.166 -3.318 1.040 1.00 0.00 O ATOM 1135 CB PHE B 71 -10.137 -1.702 0.877 1.00 0.00 C ATOM 1136 CG PHE B 71 -10.503 -3.121 0.527 1.00 0.00 C ATOM 1137 CD1 PHE B 71 -10.876 -4.023 1.509 1.00 0.00 C ATOM 1138 CD2 PHE B 71 -10.472 -3.547 -0.790 1.00 0.00 C ATOM 1139 CE1 PHE B 71 -11.210 -5.323 1.181 1.00 0.00 C ATOM 1140 CE2 PHE B 71 -10.804 -4.843 -1.124 1.00 0.00 C ATOM 1141 CZ PHE B 71 -11.174 -5.735 -0.136 1.00 0.00 C ATOM 0 H PHE B 71 -9.044 0.503 1.092 1.00 0.00 H new ATOM 0 HA PHE B 71 -8.703 -1.939 2.461 1.00 0.00 H new ATOM 0 HB2 PHE B 71 -10.855 -1.322 1.603 1.00 0.00 H new ATOM 0 HB3 PHE B 71 -10.230 -1.084 -0.016 1.00 0.00 H new ATOM 0 HD1 PHE B 71 -10.906 -3.707 2.541 1.00 0.00 H new ATOM 0 HD2 PHE B 71 -10.184 -2.854 -1.567 1.00 0.00 H new ATOM 0 HE1 PHE B 71 -11.500 -6.017 1.956 1.00 0.00 H new ATOM 0 HE2 PHE B 71 -10.775 -5.160 -2.156 1.00 0.00 H new ATOM 0 HZ PHE B 71 -11.434 -6.751 -0.393 1.00 0.00 H new ATOM 1151 N HIS B 72 -7.502 -1.839 -0.617 1.00 0.00 N ATOM 1152 CA HIS B 72 -6.620 -2.524 -1.552 1.00 0.00 C ATOM 1153 C HIS B 72 -5.176 -2.476 -1.067 1.00 0.00 C ATOM 1154 O HIS B 72 -4.391 -3.385 -1.330 1.00 0.00 O ATOM 1155 CB HIS B 72 -6.725 -1.910 -2.949 1.00 0.00 C ATOM 1156 CG HIS B 72 -8.098 -1.981 -3.544 1.00 0.00 C ATOM 1157 ND1 HIS B 72 -8.889 -1.008 -4.039 1.00 0.00 N flip ATOM 1158 CD2 HIS B 72 -8.824 -3.146 -3.651 1.00 0.00 C flip ATOM 1159 CE1 HIS B 72 -10.067 -1.588 -4.430 1.00 0.00 C flip ATOM 1160 NE2 HIS B 72 -10.004 -2.878 -4.182 1.00 0.00 N flip ATOM 0 H HIS B 72 -7.917 -0.980 -0.979 1.00 0.00 H new ATOM 0 HA HIS B 72 -6.935 -3.566 -1.606 1.00 0.00 H new ATOM 0 HB2 HIS B 72 -6.415 -0.866 -2.900 1.00 0.00 H new ATOM 0 HB3 HIS B 72 -6.026 -2.420 -3.612 1.00 0.00 H new ATOM 0 HD1 HIS B 72 -8.653 -0.018 -4.110 1.00 0.00 H new ATOM 0 HD2 HIS B 72 -8.483 -4.125 -3.348 1.00 0.00 H new ATOM 0 HE1 HIS B 72 -10.908 -1.072 -4.869 1.00 0.00 H new ATOM 1169 N LEU B 73 -4.834 -1.414 -0.351 1.00 0.00 N ATOM 1170 CA LEU B 73 -3.497 -1.274 0.203 1.00 0.00 C ATOM 1171 C LEU B 73 -3.310 -2.212 1.391 1.00 0.00 C ATOM 1172 O LEU B 73 -2.248 -2.805 1.564 1.00 0.00 O ATOM 1173 CB LEU B 73 -3.241 0.173 0.624 1.00 0.00 C ATOM 1174 CG LEU B 73 -3.279 1.201 -0.509 1.00 0.00 C ATOM 1175 CD1 LEU B 73 -3.035 2.596 0.037 1.00 0.00 C ATOM 1176 CD2 LEU B 73 -2.253 0.862 -1.581 1.00 0.00 C ATOM 0 H LEU B 73 -5.463 -0.639 -0.141 1.00 0.00 H new ATOM 0 HA LEU B 73 -2.776 -1.544 -0.569 1.00 0.00 H new ATOM 0 HB2 LEU B 73 -3.983 0.453 1.371 1.00 0.00 H new ATOM 0 HB3 LEU B 73 -2.266 0.226 1.108 1.00 0.00 H new ATOM 0 HG LEU B 73 -4.269 1.173 -0.965 1.00 0.00 H new ATOM 0 HD11 LEU B 73 -3.065 3.317 -0.780 1.00 0.00 H new ATOM 0 HD12 LEU B 73 -3.807 2.842 0.766 1.00 0.00 H new ATOM 0 HD13 LEU B 73 -2.057 2.633 0.518 1.00 0.00 H new ATOM 0 HD21 LEU B 73 -2.298 1.606 -2.376 1.00 0.00 H new ATOM 0 HD22 LEU B 73 -1.255 0.860 -1.142 1.00 0.00 H new ATOM 0 HD23 LEU B 73 -2.470 -0.123 -1.994 1.00 0.00 H new ATOM 1188 N ALA B 74 -4.346 -2.358 2.204 1.00 0.00 N ATOM 1189 CA ALA B 74 -4.297 -3.285 3.324 1.00 0.00 C ATOM 1190 C ALA B 74 -4.212 -4.716 2.817 1.00 0.00 C ATOM 1191 O ALA B 74 -3.621 -5.582 3.461 1.00 0.00 O ATOM 1192 CB ALA B 74 -5.505 -3.110 4.225 1.00 0.00 C ATOM 0 H ALA B 74 -5.225 -1.850 2.110 1.00 0.00 H new ATOM 0 HA ALA B 74 -3.405 -3.068 3.911 1.00 0.00 H new ATOM 0 HB1 ALA B 74 -5.445 -3.814 5.055 1.00 0.00 H new ATOM 0 HB2 ALA B 74 -5.524 -2.092 4.614 1.00 0.00 H new ATOM 0 HB3 ALA B 74 -6.415 -3.298 3.655 1.00 0.00 H new ATOM 1198 N LYS B 75 -4.799 -4.953 1.647 1.00 0.00 N ATOM 1199 CA LYS B 75 -4.729 -6.252 1.000 1.00 0.00 C ATOM 1200 C LYS B 75 -3.285 -6.665 0.757 1.00 0.00 C ATOM 1201 O LYS B 75 -2.925 -7.822 0.970 1.00 0.00 O ATOM 1202 CB LYS B 75 -5.495 -6.233 -0.323 1.00 0.00 C ATOM 1203 CG LYS B 75 -7.005 -6.208 -0.155 1.00 0.00 C ATOM 1204 CD LYS B 75 -7.520 -7.476 0.508 1.00 0.00 C ATOM 1205 CE LYS B 75 -7.194 -8.710 -0.319 1.00 0.00 C ATOM 1206 NZ LYS B 75 -7.699 -9.953 0.314 1.00 0.00 N1+ ATOM 0 H LYS B 75 -5.331 -4.255 1.128 1.00 0.00 H new ATOM 0 HA LYS B 75 -5.189 -6.982 1.666 1.00 0.00 H new ATOM 0 HB2 LYS B 75 -5.188 -5.359 -0.898 1.00 0.00 H new ATOM 0 HB3 LYS B 75 -5.218 -7.111 -0.906 1.00 0.00 H new ATOM 0 HG2 LYS B 75 -7.290 -5.343 0.444 1.00 0.00 H new ATOM 0 HG3 LYS B 75 -7.477 -6.090 -1.130 1.00 0.00 H new ATOM 0 HD2 LYS B 75 -7.078 -7.574 1.500 1.00 0.00 H new ATOM 0 HD3 LYS B 75 -8.599 -7.403 0.645 1.00 0.00 H new ATOM 0 HE2 LYS B 75 -7.630 -8.606 -1.312 1.00 0.00 H new ATOM 0 HE3 LYS B 75 -6.114 -8.783 -0.451 1.00 0.00 H new ATOM 0 HZ1 LYS B 75 -7.456 -10.770 -0.282 1.00 0.00 H new ATOM 0 HZ2 LYS B 75 -7.264 -10.067 1.252 1.00 0.00 H new ATOM 0 HZ3 LYS B 75 -8.732 -9.895 0.417 1.00 0.00 H new ATOM 1220 N VAL B 76 -2.452 -5.720 0.327 1.00 0.00 N ATOM 1221 CA VAL B 76 -1.055 -6.030 0.070 1.00 0.00 C ATOM 1222 C VAL B 76 -0.284 -6.118 1.384 1.00 0.00 C ATOM 1223 O VAL B 76 0.637 -6.917 1.512 1.00 0.00 O ATOM 1224 CB VAL B 76 -0.379 -5.016 -0.891 1.00 0.00 C ATOM 1225 CG1 VAL B 76 -1.276 -4.732 -2.082 1.00 0.00 C ATOM 1226 CG2 VAL B 76 0.000 -3.721 -0.189 1.00 0.00 C ATOM 0 H VAL B 76 -2.717 -4.751 0.153 1.00 0.00 H new ATOM 0 HA VAL B 76 -1.031 -6.998 -0.431 1.00 0.00 H new ATOM 0 HB VAL B 76 0.545 -5.474 -1.243 1.00 0.00 H new ATOM 0 HG11 VAL B 76 -0.786 -4.019 -2.745 1.00 0.00 H new ATOM 0 HG12 VAL B 76 -1.467 -5.659 -2.623 1.00 0.00 H new ATOM 0 HG13 VAL B 76 -2.221 -4.314 -1.734 1.00 0.00 H new ATOM 0 HG21 VAL B 76 0.469 -3.044 -0.903 1.00 0.00 H new ATOM 0 HG22 VAL B 76 -0.896 -3.253 0.220 1.00 0.00 H new ATOM 0 HG23 VAL B 76 0.698 -3.936 0.620 1.00 0.00 H new ATOM 1236 N TYR B 77 -0.692 -5.319 2.369 1.00 0.00 N ATOM 1237 CA TYR B 77 -0.075 -5.353 3.692 1.00 0.00 C ATOM 1238 C TYR B 77 -0.183 -6.749 4.296 1.00 0.00 C ATOM 1239 O TYR B 77 0.785 -7.271 4.848 1.00 0.00 O ATOM 1240 CB TYR B 77 -0.729 -4.318 4.615 1.00 0.00 C ATOM 1241 CG TYR B 77 -0.317 -4.443 6.066 1.00 0.00 C ATOM 1242 CD1 TYR B 77 1.022 -4.549 6.425 1.00 0.00 C ATOM 1243 CD2 TYR B 77 -1.269 -4.456 7.077 1.00 0.00 C ATOM 1244 CE1 TYR B 77 1.398 -4.670 7.748 1.00 0.00 C ATOM 1245 CE2 TYR B 77 -0.901 -4.574 8.403 1.00 0.00 C ATOM 1246 CZ TYR B 77 0.433 -4.682 8.732 1.00 0.00 C ATOM 1247 OH TYR B 77 0.801 -4.803 10.052 1.00 0.00 O ATOM 0 H TYR B 77 -1.448 -4.640 2.275 1.00 0.00 H new ATOM 0 HA TYR B 77 0.981 -5.104 3.586 1.00 0.00 H new ATOM 0 HB2 TYR B 77 -0.476 -3.319 4.261 1.00 0.00 H new ATOM 0 HB3 TYR B 77 -1.812 -4.417 4.545 1.00 0.00 H new ATOM 0 HD1 TYR B 77 1.781 -4.536 5.656 1.00 0.00 H new ATOM 0 HD2 TYR B 77 -2.315 -4.372 6.822 1.00 0.00 H new ATOM 0 HE1 TYR B 77 2.442 -4.755 8.010 1.00 0.00 H new ATOM 0 HE2 TYR B 77 -1.654 -4.582 9.177 1.00 0.00 H new ATOM 0 HH TYR B 77 0.000 -4.793 10.617 1.00 0.00 H new ATOM 1257 N ARG B 78 -1.359 -7.354 4.160 1.00 0.00 N ATOM 1258 CA ARG B 78 -1.593 -8.708 4.653 1.00 0.00 C ATOM 1259 C ARG B 78 -0.635 -9.690 3.992 1.00 0.00 C ATOM 1260 O ARG B 78 -0.239 -10.695 4.585 1.00 0.00 O ATOM 1261 CB ARG B 78 -3.036 -9.125 4.383 1.00 0.00 C ATOM 1262 CG ARG B 78 -4.045 -8.187 5.011 1.00 0.00 C ATOM 1263 CD ARG B 78 -5.462 -8.688 4.824 1.00 0.00 C ATOM 1264 NE ARG B 78 -6.454 -7.744 5.343 1.00 0.00 N ATOM 1265 CZ ARG B 78 -7.707 -7.655 4.893 1.00 0.00 C ATOM 1266 NH1 ARG B 78 -8.128 -8.452 3.922 1.00 0.00 N1+ ATOM 1267 NH2 ARG B 78 -8.541 -6.774 5.425 1.00 0.00 N ATOM 0 H ARG B 78 -2.168 -6.926 3.710 1.00 0.00 H new ATOM 0 HA ARG B 78 -1.416 -8.719 5.728 1.00 0.00 H new ATOM 0 HB2 ARG B 78 -3.203 -9.163 3.307 1.00 0.00 H new ATOM 0 HB3 ARG B 78 -3.196 -10.133 4.766 1.00 0.00 H new ATOM 0 HG2 ARG B 78 -3.833 -8.082 6.075 1.00 0.00 H new ATOM 0 HG3 ARG B 78 -3.947 -7.196 4.568 1.00 0.00 H new ATOM 0 HD2 ARG B 78 -5.648 -8.862 3.764 1.00 0.00 H new ATOM 0 HD3 ARG B 78 -5.576 -9.647 5.329 1.00 0.00 H new ATOM 0 HE ARG B 78 -6.170 -7.116 6.095 1.00 0.00 H new ATOM 0 HH11 ARG B 78 -7.493 -9.138 3.514 1.00 0.00 H new ATOM 0 HH12 ARG B 78 -9.087 -8.379 3.582 1.00 0.00 H new ATOM 0 HH21 ARG B 78 -8.225 -6.164 6.179 1.00 0.00 H new ATOM 0 HH22 ARG B 78 -9.499 -6.706 5.081 1.00 0.00 H new ATOM 1281 N ILE B 79 -0.260 -9.370 2.766 1.00 0.00 N ATOM 1282 CA ILE B 79 0.674 -10.183 2.003 1.00 0.00 C ATOM 1283 C ILE B 79 2.088 -10.074 2.575 1.00 0.00 C ATOM 1284 O ILE B 79 2.762 -11.084 2.765 1.00 0.00 O ATOM 1285 CB ILE B 79 0.690 -9.775 0.514 1.00 0.00 C ATOM 1286 CG1 ILE B 79 -0.715 -9.869 -0.079 1.00 0.00 C ATOM 1287 CG2 ILE B 79 1.657 -10.649 -0.270 1.00 0.00 C ATOM 1288 CD1 ILE B 79 -0.795 -9.418 -1.519 1.00 0.00 C ATOM 0 H ILE B 79 -0.592 -8.542 2.271 1.00 0.00 H new ATOM 0 HA ILE B 79 0.336 -11.216 2.079 1.00 0.00 H new ATOM 0 HB ILE B 79 1.028 -8.741 0.444 1.00 0.00 H new ATOM 0 HG12 ILE B 79 -1.061 -10.900 -0.010 1.00 0.00 H new ATOM 0 HG13 ILE B 79 -1.395 -9.264 0.521 1.00 0.00 H new ATOM 0 HG21 ILE B 79 1.654 -10.346 -1.317 1.00 0.00 H new ATOM 0 HG22 ILE B 79 2.662 -10.536 0.138 1.00 0.00 H new ATOM 0 HG23 ILE B 79 1.349 -11.692 -0.193 1.00 0.00 H new ATOM 0 HD11 ILE B 79 -1.821 -9.512 -1.873 1.00 0.00 H new ATOM 0 HD12 ILE B 79 -0.480 -8.377 -1.592 1.00 0.00 H new ATOM 0 HD13 ILE B 79 -0.141 -10.039 -2.132 1.00 0.00 H new ATOM 1300 N LEU B 80 2.532 -8.852 2.862 1.00 0.00 N ATOM 1301 CA LEU B 80 3.877 -8.646 3.407 1.00 0.00 C ATOM 1302 C LEU B 80 3.984 -9.191 4.828 1.00 0.00 C ATOM 1303 O LEU B 80 5.076 -9.504 5.301 1.00 0.00 O ATOM 1304 CB LEU B 80 4.290 -7.168 3.393 1.00 0.00 C ATOM 1305 CG LEU B 80 4.661 -6.574 2.024 1.00 0.00 C ATOM 1306 CD1 LEU B 80 5.429 -7.578 1.181 1.00 0.00 C ATOM 1307 CD2 LEU B 80 3.430 -6.072 1.296 1.00 0.00 C ATOM 0 H LEU B 80 1.990 -7.998 2.729 1.00 0.00 H new ATOM 0 HA LEU B 80 4.559 -9.195 2.758 1.00 0.00 H new ATOM 0 HB2 LEU B 80 3.472 -6.581 3.810 1.00 0.00 H new ATOM 0 HB3 LEU B 80 5.143 -7.045 4.061 1.00 0.00 H new ATOM 0 HG LEU B 80 5.315 -5.719 2.197 1.00 0.00 H new ATOM 0 HD11 LEU B 80 5.678 -7.130 0.219 1.00 0.00 H new ATOM 0 HD12 LEU B 80 6.346 -7.861 1.698 1.00 0.00 H new ATOM 0 HD13 LEU B 80 4.815 -8.464 1.021 1.00 0.00 H new ATOM 0 HD21 LEU B 80 3.722 -5.657 0.331 1.00 0.00 H new ATOM 0 HD22 LEU B 80 2.737 -6.899 1.141 1.00 0.00 H new ATOM 0 HD23 LEU B 80 2.945 -5.299 1.892 1.00 0.00 H new ATOM 1319 N SER B 81 2.849 -9.310 5.505 1.00 0.00 N ATOM 1320 CA SER B 81 2.813 -9.908 6.830 1.00 0.00 C ATOM 1321 C SER B 81 2.550 -11.407 6.715 1.00 0.00 C ATOM 1322 O SER B 81 1.992 -12.022 7.625 1.00 0.00 O ATOM 1323 CB SER B 81 1.739 -9.232 7.687 1.00 0.00 C ATOM 1324 OG SER B 81 0.482 -9.233 7.028 1.00 0.00 O ATOM 0 H SER B 81 1.942 -9.000 5.157 1.00 0.00 H new ATOM 0 HA SER B 81 3.778 -9.761 7.315 1.00 0.00 H new ATOM 0 HB2 SER B 81 1.652 -9.750 8.642 1.00 0.00 H new ATOM 0 HB3 SER B 81 2.037 -8.207 7.906 1.00 0.00 H new ATOM 0 HG SER B 81 0.464 -8.520 6.356 1.00 0.00 H new ATOM 1509 N LEU B 96 9.382 -13.972 -0.724 1.00 0.00 N ATOM 1510 CA LEU B 96 8.473 -14.404 -1.776 1.00 0.00 C ATOM 1511 C LEU B 96 7.167 -13.617 -1.705 1.00 0.00 C ATOM 1512 O LEU B 96 6.535 -13.353 -2.728 1.00 0.00 O ATOM 1513 CB LEU B 96 8.236 -15.927 -1.690 1.00 0.00 C ATOM 1514 CG LEU B 96 7.136 -16.420 -0.742 1.00 0.00 C ATOM 1515 CD1 LEU B 96 5.766 -16.350 -1.403 1.00 0.00 C ATOM 1516 CD2 LEU B 96 7.435 -17.840 -0.302 1.00 0.00 C ATOM 0 HA LEU B 96 8.926 -14.199 -2.746 1.00 0.00 H new ATOM 0 HB2 LEU B 96 8.003 -16.288 -2.692 1.00 0.00 H new ATOM 0 HB3 LEU B 96 9.173 -16.397 -1.391 1.00 0.00 H new ATOM 0 HG LEU B 96 7.119 -15.768 0.131 1.00 0.00 H new ATOM 0 HD11 LEU B 96 5.007 -16.706 -0.706 1.00 0.00 H new ATOM 0 HD12 LEU B 96 5.548 -15.319 -1.681 1.00 0.00 H new ATOM 0 HD13 LEU B 96 5.760 -16.975 -2.296 1.00 0.00 H new ATOM 0 HD21 LEU B 96 6.650 -18.185 0.371 1.00 0.00 H new ATOM 0 HD22 LEU B 96 7.476 -18.491 -1.176 1.00 0.00 H new ATOM 0 HD23 LEU B 96 8.394 -17.866 0.215 1.00 0.00 H new ATOM 1528 N GLN B 97 6.783 -13.224 -0.491 1.00 0.00 N ATOM 1529 CA GLN B 97 5.563 -12.447 -0.282 1.00 0.00 C ATOM 1530 C GLN B 97 5.622 -11.129 -1.043 1.00 0.00 C ATOM 1531 O GLN B 97 4.606 -10.639 -1.529 1.00 0.00 O ATOM 1532 CB GLN B 97 5.338 -12.169 1.207 1.00 0.00 C ATOM 1533 CG GLN B 97 5.025 -13.408 2.038 1.00 0.00 C ATOM 1534 CD GLN B 97 3.750 -14.116 1.608 1.00 0.00 C ATOM 1535 OE1 GLN B 97 2.785 -13.365 1.107 1.00 0.00 O flip ATOM 1536 NE2 GLN B 97 3.624 -15.330 1.750 1.00 0.00 N flip ATOM 0 H GLN B 97 7.300 -13.432 0.363 1.00 0.00 H new ATOM 0 HA GLN B 97 4.729 -13.038 -0.660 1.00 0.00 H new ATOM 0 HB2 GLN B 97 6.228 -11.689 1.613 1.00 0.00 H new ATOM 0 HB3 GLN B 97 4.517 -11.459 1.312 1.00 0.00 H new ATOM 0 HG2 GLN B 97 5.860 -14.105 1.967 1.00 0.00 H new ATOM 0 HG3 GLN B 97 4.937 -13.121 3.086 1.00 0.00 H new ATOM 0 HE21 GLN B 97 4.389 -15.880 2.140 1.00 0.00 H new ATOM 0 HE22 GLN B 97 2.754 -15.788 1.478 1.00 0.00 H new ATOM 1545 N LYS B 98 6.821 -10.567 -1.154 1.00 0.00 N ATOM 1546 CA LYS B 98 7.011 -9.308 -1.858 1.00 0.00 C ATOM 1547 C LYS B 98 6.610 -9.406 -3.326 1.00 0.00 C ATOM 1548 O LYS B 98 6.139 -8.432 -3.906 1.00 0.00 O ATOM 1549 CB LYS B 98 8.446 -8.846 -1.709 1.00 0.00 C ATOM 1550 CG LYS B 98 8.690 -8.220 -0.352 1.00 0.00 C ATOM 1551 CD LYS B 98 10.115 -8.407 0.086 1.00 0.00 C ATOM 1552 CE LYS B 98 10.369 -7.747 1.433 1.00 0.00 C ATOM 1553 NZ LYS B 98 11.782 -7.881 1.870 1.00 0.00 N1+ ATOM 0 H LYS B 98 7.675 -10.965 -0.764 1.00 0.00 H new ATOM 0 HA LYS B 98 6.353 -8.566 -1.406 1.00 0.00 H new ATOM 0 HB2 LYS B 98 9.118 -9.693 -1.846 1.00 0.00 H new ATOM 0 HB3 LYS B 98 8.680 -8.124 -2.491 1.00 0.00 H new ATOM 0 HG2 LYS B 98 8.456 -7.156 -0.392 1.00 0.00 H new ATOM 0 HG3 LYS B 98 8.020 -8.666 0.383 1.00 0.00 H new ATOM 0 HD2 LYS B 98 10.341 -9.471 0.151 1.00 0.00 H new ATOM 0 HD3 LYS B 98 10.786 -7.984 -0.661 1.00 0.00 H new ATOM 0 HE2 LYS B 98 10.109 -6.690 1.372 1.00 0.00 H new ATOM 0 HE3 LYS B 98 9.716 -8.193 2.183 1.00 0.00 H new ATOM 0 HZ1 LYS B 98 11.906 -7.416 2.792 1.00 0.00 H new ATOM 0 HZ2 LYS B 98 12.025 -8.889 1.955 1.00 0.00 H new ATOM 0 HZ3 LYS B 98 12.406 -7.432 1.169 1.00 0.00 H new ATOM 1567 N GLU B 99 6.772 -10.586 -3.919 1.00 0.00 N ATOM 1568 CA GLU B 99 6.343 -10.802 -5.295 1.00 0.00 C ATOM 1569 C GLU B 99 4.833 -10.675 -5.383 1.00 0.00 C ATOM 1570 O GLU B 99 4.303 -9.911 -6.187 1.00 0.00 O ATOM 1571 CB GLU B 99 6.760 -12.187 -5.786 1.00 0.00 C ATOM 1572 CG GLU B 99 6.481 -12.423 -7.262 1.00 0.00 C ATOM 1573 CD GLU B 99 7.123 -11.381 -8.150 1.00 0.00 C ATOM 1574 OE1 GLU B 99 8.368 -11.347 -8.228 1.00 0.00 O ATOM 1575 OE2 GLU B 99 6.387 -10.598 -8.781 1.00 0.00 O1- ATOM 0 H GLU B 99 7.194 -11.400 -3.472 1.00 0.00 H new ATOM 0 HA GLU B 99 6.819 -10.050 -5.924 1.00 0.00 H new ATOM 0 HB2 GLU B 99 7.826 -12.323 -5.601 1.00 0.00 H new ATOM 0 HB3 GLU B 99 6.236 -12.943 -5.201 1.00 0.00 H new ATOM 0 HG2 GLU B 99 6.847 -13.410 -7.544 1.00 0.00 H new ATOM 0 HG3 GLU B 99 5.404 -12.423 -7.429 1.00 0.00 H new ATOM 1582 N LEU B 100 4.149 -11.422 -4.528 1.00 0.00 N ATOM 1583 CA LEU B 100 2.694 -11.430 -4.506 1.00 0.00 C ATOM 1584 C LEU B 100 2.162 -10.044 -4.168 1.00 0.00 C ATOM 1585 O LEU B 100 1.100 -9.641 -4.642 1.00 0.00 O ATOM 1586 CB LEU B 100 2.163 -12.463 -3.502 1.00 0.00 C ATOM 1587 CG LEU B 100 2.265 -13.938 -3.926 1.00 0.00 C ATOM 1588 CD1 LEU B 100 1.531 -14.175 -5.236 1.00 0.00 C ATOM 1589 CD2 LEU B 100 3.715 -14.383 -4.041 1.00 0.00 C ATOM 0 H LEU B 100 4.582 -12.034 -3.836 1.00 0.00 H new ATOM 0 HA LEU B 100 2.343 -11.710 -5.499 1.00 0.00 H new ATOM 0 HB2 LEU B 100 2.704 -12.338 -2.564 1.00 0.00 H new ATOM 0 HB3 LEU B 100 1.116 -12.237 -3.299 1.00 0.00 H new ATOM 0 HG LEU B 100 1.790 -14.537 -3.149 1.00 0.00 H new ATOM 0 HD11 LEU B 100 1.617 -15.225 -5.516 1.00 0.00 H new ATOM 0 HD12 LEU B 100 0.479 -13.916 -5.116 1.00 0.00 H new ATOM 0 HD13 LEU B 100 1.970 -13.554 -6.017 1.00 0.00 H new ATOM 0 HD21 LEU B 100 3.752 -15.430 -4.342 1.00 0.00 H new ATOM 0 HD22 LEU B 100 4.225 -13.773 -4.787 1.00 0.00 H new ATOM 0 HD23 LEU B 100 4.209 -14.266 -3.077 1.00 0.00 H new ATOM 1601 N ALA B 101 2.915 -9.316 -3.353 1.00 0.00 N ATOM 1602 CA ALA B 101 2.568 -7.949 -3.006 1.00 0.00 C ATOM 1603 C ALA B 101 2.596 -7.061 -4.248 1.00 0.00 C ATOM 1604 O ALA B 101 1.625 -6.365 -4.541 1.00 0.00 O ATOM 1605 CB ALA B 101 3.506 -7.418 -1.930 1.00 0.00 C ATOM 0 H ALA B 101 3.774 -9.654 -2.919 1.00 0.00 H new ATOM 0 HA ALA B 101 1.555 -7.936 -2.605 1.00 0.00 H new ATOM 0 HB1 ALA B 101 3.232 -6.393 -1.682 1.00 0.00 H new ATOM 0 HB2 ALA B 101 3.427 -8.041 -1.039 1.00 0.00 H new ATOM 0 HB3 ALA B 101 4.532 -7.440 -2.298 1.00 0.00 H new ATOM 1611 N VAL B 102 3.701 -7.114 -4.993 1.00 0.00 N ATOM 1612 CA VAL B 102 3.835 -6.337 -6.228 1.00 0.00 C ATOM 1613 C VAL B 102 2.756 -6.731 -7.234 1.00 0.00 C ATOM 1614 O VAL B 102 2.229 -5.883 -7.954 1.00 0.00 O ATOM 1615 CB VAL B 102 5.225 -6.519 -6.882 1.00 0.00 C ATOM 1616 CG1 VAL B 102 5.333 -5.707 -8.166 1.00 0.00 C ATOM 1617 CG2 VAL B 102 6.331 -6.126 -5.918 1.00 0.00 C ATOM 0 H VAL B 102 4.515 -7.685 -4.764 1.00 0.00 H new ATOM 0 HA VAL B 102 3.719 -5.289 -5.952 1.00 0.00 H new ATOM 0 HB VAL B 102 5.340 -7.574 -7.131 1.00 0.00 H new ATOM 0 HG11 VAL B 102 6.319 -5.852 -8.606 1.00 0.00 H new ATOM 0 HG12 VAL B 102 4.569 -6.037 -8.870 1.00 0.00 H new ATOM 0 HG13 VAL B 102 5.188 -4.650 -7.942 1.00 0.00 H new ATOM 0 HG21 VAL B 102 7.299 -6.262 -6.400 1.00 0.00 H new ATOM 0 HG22 VAL B 102 6.211 -5.081 -5.634 1.00 0.00 H new ATOM 0 HG23 VAL B 102 6.277 -6.753 -5.028 1.00 0.00 H new ATOM 1627 N ASN B 103 2.423 -8.021 -7.260 1.00 0.00 N ATOM 1628 CA ASN B 103 1.372 -8.539 -8.138 1.00 0.00 C ATOM 1629 C ASN B 103 0.078 -7.753 -7.962 1.00 0.00 C ATOM 1630 O ASN B 103 -0.605 -7.437 -8.937 1.00 0.00 O ATOM 1631 CB ASN B 103 1.116 -10.023 -7.855 1.00 0.00 C ATOM 1632 CG ASN B 103 1.967 -10.952 -8.701 1.00 0.00 C ATOM 1633 OD1 ASN B 103 1.547 -11.398 -9.769 1.00 0.00 O ATOM 1634 ND2 ASN B 103 3.168 -11.248 -8.240 1.00 0.00 N ATOM 0 H ASN B 103 2.869 -8.731 -6.679 1.00 0.00 H new ATOM 0 HA ASN B 103 1.713 -8.426 -9.167 1.00 0.00 H new ATOM 0 HB2 ASN B 103 1.310 -10.223 -6.801 1.00 0.00 H new ATOM 0 HB3 ASN B 103 0.063 -10.243 -8.033 1.00 0.00 H new ATOM 0 HD21 ASN B 103 3.781 -11.865 -8.773 1.00 0.00 H new ATOM 0 HD22 ASN B 103 3.483 -10.860 -7.351 1.00 0.00 H new ATOM 1641 N TYR B 104 -0.240 -7.417 -6.719 1.00 0.00 N ATOM 1642 CA TYR B 104 -1.445 -6.659 -6.424 1.00 0.00 C ATOM 1643 C TYR B 104 -1.335 -5.238 -6.958 1.00 0.00 C ATOM 1644 O TYR B 104 -2.250 -4.750 -7.616 1.00 0.00 O ATOM 1645 CB TYR B 104 -1.724 -6.637 -4.924 1.00 0.00 C ATOM 1646 CG TYR B 104 -2.684 -7.711 -4.461 1.00 0.00 C ATOM 1647 CD1 TYR B 104 -2.359 -9.057 -4.558 1.00 0.00 C ATOM 1648 CD2 TYR B 104 -3.917 -7.372 -3.915 1.00 0.00 C ATOM 1649 CE1 TYR B 104 -3.236 -10.037 -4.125 1.00 0.00 C ATOM 1650 CE2 TYR B 104 -4.798 -8.344 -3.482 1.00 0.00 C ATOM 1651 CZ TYR B 104 -4.453 -9.673 -3.587 1.00 0.00 C ATOM 1652 OH TYR B 104 -5.330 -10.644 -3.150 1.00 0.00 O ATOM 0 H TYR B 104 0.320 -7.658 -5.901 1.00 0.00 H new ATOM 0 HA TYR B 104 -2.279 -7.154 -6.922 1.00 0.00 H new ATOM 0 HB2 TYR B 104 -0.782 -6.751 -4.388 1.00 0.00 H new ATOM 0 HB3 TYR B 104 -2.129 -5.661 -4.654 1.00 0.00 H new ATOM 0 HD1 TYR B 104 -1.406 -9.345 -4.978 1.00 0.00 H new ATOM 0 HD2 TYR B 104 -4.191 -6.331 -3.828 1.00 0.00 H new ATOM 0 HE1 TYR B 104 -2.969 -11.080 -4.208 1.00 0.00 H new ATOM 0 HE2 TYR B 104 -5.753 -8.063 -3.063 1.00 0.00 H new ATOM 0 HH TYR B 104 -6.140 -10.219 -2.798 1.00 0.00 H new ATOM 1662 N LEU B 105 -0.207 -4.585 -6.698 1.00 0.00 N ATOM 1663 CA LEU B 105 0.001 -3.222 -7.184 1.00 0.00 C ATOM 1664 C LEU B 105 -0.035 -3.182 -8.707 1.00 0.00 C ATOM 1665 O LEU B 105 -0.471 -2.194 -9.298 1.00 0.00 O ATOM 1666 CB LEU B 105 1.321 -2.626 -6.682 1.00 0.00 C ATOM 1667 CG LEU B 105 1.350 -2.172 -5.215 1.00 0.00 C ATOM 1668 CD1 LEU B 105 0.118 -1.348 -4.879 1.00 0.00 C ATOM 1669 CD2 LEU B 105 1.474 -3.356 -4.273 1.00 0.00 C ATOM 0 H LEU B 105 0.570 -4.970 -6.160 1.00 0.00 H new ATOM 0 HA LEU B 105 -0.813 -2.616 -6.786 1.00 0.00 H new ATOM 0 HB2 LEU B 105 2.107 -3.367 -6.826 1.00 0.00 H new ATOM 0 HB3 LEU B 105 1.570 -1.770 -7.310 1.00 0.00 H new ATOM 0 HG LEU B 105 2.231 -1.544 -5.081 1.00 0.00 H new ATOM 0 HD11 LEU B 105 0.161 -1.038 -3.835 1.00 0.00 H new ATOM 0 HD12 LEU B 105 0.085 -0.466 -5.518 1.00 0.00 H new ATOM 0 HD13 LEU B 105 -0.777 -1.948 -5.042 1.00 0.00 H new ATOM 0 HD21 LEU B 105 1.492 -3.001 -3.243 1.00 0.00 H new ATOM 0 HD22 LEU B 105 0.623 -4.023 -4.412 1.00 0.00 H new ATOM 0 HD23 LEU B 105 2.396 -3.896 -4.487 1.00 0.00 H new ATOM 1681 N ASN B 106 0.409 -4.262 -9.340 1.00 0.00 N ATOM 1682 CA ASN B 106 0.347 -4.373 -10.793 1.00 0.00 C ATOM 1683 C ASN B 106 -1.096 -4.288 -11.261 1.00 0.00 C ATOM 1684 O ASN B 106 -1.416 -3.561 -12.202 1.00 0.00 O ATOM 1685 CB ASN B 106 0.971 -5.687 -11.275 1.00 0.00 C ATOM 1686 CG ASN B 106 2.480 -5.699 -11.142 1.00 0.00 C ATOM 1687 OD1 ASN B 106 3.134 -4.662 -11.247 1.00 0.00 O ATOM 1688 ND2 ASN B 106 3.044 -6.871 -10.917 1.00 0.00 N ATOM 0 H ASN B 106 0.815 -5.072 -8.871 1.00 0.00 H new ATOM 0 HA ASN B 106 0.917 -3.547 -11.219 1.00 0.00 H new ATOM 0 HB2 ASN B 106 0.553 -6.515 -10.702 1.00 0.00 H new ATOM 0 HB3 ASN B 106 0.701 -5.852 -12.318 1.00 0.00 H new ATOM 0 HD21 ASN B 106 4.057 -6.940 -10.824 1.00 0.00 H new ATOM 0 HD22 ASN B 106 2.466 -7.708 -10.836 1.00 0.00 H new ATOM 1695 N THR B 107 -1.971 -5.005 -10.572 1.00 0.00 N ATOM 1696 CA THR B 107 -3.379 -5.038 -10.931 1.00 0.00 C ATOM 1697 C THR B 107 -4.102 -3.767 -10.486 1.00 0.00 C ATOM 1698 O THR B 107 -5.248 -3.532 -10.877 1.00 0.00 O ATOM 1699 CB THR B 107 -4.083 -6.271 -10.325 1.00 0.00 C ATOM 1700 OG1 THR B 107 -4.041 -6.227 -8.892 1.00 0.00 O ATOM 1701 CG2 THR B 107 -3.430 -7.557 -10.810 1.00 0.00 C ATOM 0 H THR B 107 -1.729 -5.573 -9.760 1.00 0.00 H new ATOM 0 HA THR B 107 -3.425 -5.103 -12.018 1.00 0.00 H new ATOM 0 HB THR B 107 -5.123 -6.253 -10.652 1.00 0.00 H new ATOM 0 HG1 THR B 107 -3.359 -5.584 -8.604 1.00 0.00 H new ATOM 0 HG21 THR B 107 -3.942 -8.413 -10.371 1.00 0.00 H new ATOM 0 HG22 THR B 107 -3.498 -7.612 -11.896 1.00 0.00 H new ATOM 0 HG23 THR B 107 -2.382 -7.568 -10.511 1.00 0.00 H new ATOM 1709 N LEU B 108 -3.427 -2.947 -9.678 1.00 0.00 N ATOM 1710 CA LEU B 108 -4.032 -1.726 -9.156 1.00 0.00 C ATOM 1711 C LEU B 108 -3.566 -0.491 -9.917 1.00 0.00 C ATOM 1712 O LEU B 108 -4.017 0.619 -9.638 1.00 0.00 O ATOM 1713 CB LEU B 108 -3.721 -1.536 -7.673 1.00 0.00 C ATOM 1714 CG LEU B 108 -4.236 -2.627 -6.740 1.00 0.00 C ATOM 1715 CD1 LEU B 108 -3.918 -2.280 -5.295 1.00 0.00 C ATOM 1716 CD2 LEU B 108 -5.733 -2.834 -6.927 1.00 0.00 C ATOM 0 H LEU B 108 -2.467 -3.107 -9.374 1.00 0.00 H new ATOM 0 HA LEU B 108 -5.108 -1.840 -9.289 1.00 0.00 H new ATOM 0 HB2 LEU B 108 -2.640 -1.464 -7.555 1.00 0.00 H new ATOM 0 HB3 LEU B 108 -4.141 -0.583 -7.353 1.00 0.00 H new ATOM 0 HG LEU B 108 -3.732 -3.561 -6.990 1.00 0.00 H new ATOM 0 HD11 LEU B 108 -4.292 -3.068 -4.641 1.00 0.00 H new ATOM 0 HD12 LEU B 108 -2.839 -2.188 -5.172 1.00 0.00 H new ATOM 0 HD13 LEU B 108 -4.395 -1.335 -5.034 1.00 0.00 H new ATOM 0 HD21 LEU B 108 -6.079 -3.617 -6.252 1.00 0.00 H new ATOM 0 HD22 LEU B 108 -6.259 -1.905 -6.706 1.00 0.00 H new ATOM 0 HD23 LEU B 108 -5.934 -3.129 -7.957 1.00 0.00 H new ATOM 1728 N ARG B 109 -2.668 -0.677 -10.869 1.00 0.00 N ATOM 1729 CA ARG B 109 -2.203 0.433 -11.687 1.00 0.00 C ATOM 1730 C ARG B 109 -2.808 0.362 -13.081 1.00 0.00 C ATOM 1731 O ARG B 109 -3.615 -0.530 -13.358 1.00 0.00 O ATOM 1732 CB ARG B 109 -0.675 0.461 -11.752 1.00 0.00 C ATOM 1733 CG ARG B 109 -0.037 0.947 -10.461 1.00 0.00 C ATOM 1734 CD ARG B 109 1.479 0.865 -10.511 1.00 0.00 C ATOM 1735 NE ARG B 109 1.950 -0.518 -10.571 1.00 0.00 N ATOM 1736 CZ ARG B 109 2.975 -0.984 -9.861 1.00 0.00 C ATOM 1737 NH1 ARG B 109 3.659 -0.180 -9.061 1.00 0.00 N1+ ATOM 1738 NH2 ARG B 109 3.331 -2.256 -9.959 1.00 0.00 N ATOM 0 H ARG B 109 -2.248 -1.579 -11.095 1.00 0.00 H new ATOM 0 HA ARG B 109 -2.534 1.361 -11.221 1.00 0.00 H new ATOM 0 HB2 ARG B 109 -0.308 -0.540 -11.979 1.00 0.00 H new ATOM 0 HB3 ARG B 109 -0.363 1.108 -12.572 1.00 0.00 H new ATOM 0 HG2 ARG B 109 -0.339 1.977 -10.273 1.00 0.00 H new ATOM 0 HG3 ARG B 109 -0.405 0.350 -9.627 1.00 0.00 H new ATOM 0 HD2 ARG B 109 1.843 1.410 -11.382 1.00 0.00 H new ATOM 0 HD3 ARG B 109 1.898 1.353 -9.631 1.00 0.00 H new ATOM 0 HE ARG B 109 1.464 -1.164 -11.194 1.00 0.00 H new ATOM 0 HH11 ARG B 109 3.402 0.804 -8.986 1.00 0.00 H new ATOM 0 HH12 ARG B 109 4.443 -0.545 -8.520 1.00 0.00 H new ATOM 0 HH21 ARG B 109 2.819 -2.882 -10.580 1.00 0.00 H new ATOM 0 HH22 ARG B 109 4.117 -2.609 -9.413 1.00 0.00 H new ATOM 1752 N TYR B 110 -2.425 1.300 -13.946 1.00 0.00 N ATOM 1753 CA TYR B 110 -2.992 1.402 -15.289 1.00 0.00 C ATOM 1754 C TYR B 110 -3.016 0.052 -16.003 1.00 0.00 C ATOM 1755 O TYR B 110 -2.026 -0.683 -16.014 1.00 0.00 O ATOM 1756 CB TYR B 110 -2.210 2.423 -16.126 1.00 0.00 C ATOM 1757 CG TYR B 110 -2.631 2.469 -17.577 1.00 0.00 C ATOM 1758 CD1 TYR B 110 -3.903 2.890 -17.941 1.00 0.00 C ATOM 1759 CD2 TYR B 110 -1.758 2.074 -18.582 1.00 0.00 C ATOM 1760 CE1 TYR B 110 -4.292 2.920 -19.265 1.00 0.00 C ATOM 1761 CE2 TYR B 110 -2.141 2.101 -19.907 1.00 0.00 C ATOM 1762 CZ TYR B 110 -3.407 2.524 -20.244 1.00 0.00 C ATOM 1763 OH TYR B 110 -3.793 2.543 -21.566 1.00 0.00 O ATOM 0 H TYR B 110 -1.718 2.005 -13.738 1.00 0.00 H new ATOM 0 HA TYR B 110 -4.023 1.739 -15.179 1.00 0.00 H new ATOM 0 HB2 TYR B 110 -2.338 3.413 -15.688 1.00 0.00 H new ATOM 0 HB3 TYR B 110 -1.147 2.186 -16.072 1.00 0.00 H new ATOM 0 HD1 TYR B 110 -4.599 3.199 -17.176 1.00 0.00 H new ATOM 0 HD2 TYR B 110 -0.764 1.741 -18.322 1.00 0.00 H new ATOM 0 HE1 TYR B 110 -5.284 3.252 -19.532 1.00 0.00 H new ATOM 0 HE2 TYR B 110 -1.450 1.791 -20.677 1.00 0.00 H new ATOM 0 HH TYR B 110 -3.051 2.235 -22.128 1.00 0.00 H new ATOM 1773 N GLY B 111 -4.164 -0.266 -16.585 1.00 0.00 N ATOM 1774 CA GLY B 111 -4.314 -1.504 -17.318 1.00 0.00 C ATOM 1775 C GLY B 111 -4.402 -2.708 -16.409 1.00 0.00 C ATOM 1776 O GLY B 111 -3.915 -3.789 -16.745 1.00 0.00 O ATOM 0 H GLY B 111 -5.000 0.318 -16.561 1.00 0.00 H new ATOM 0 HA2 GLY B 111 -5.212 -1.451 -17.934 1.00 0.00 H new ATOM 0 HA3 GLY B 111 -3.469 -1.626 -17.996 1.00 0.00 H new ATOM 1780 N GLY B 112 -5.010 -2.522 -15.246 1.00 0.00 N ATOM 1781 CA GLY B 112 -5.185 -3.618 -14.321 1.00 0.00 C ATOM 1782 C GLY B 112 -6.565 -4.224 -14.421 1.00 0.00 C ATOM 1783 O GLY B 112 -7.176 -4.223 -15.491 1.00 0.00 O ATOM 0 H GLY B 112 -5.385 -1.628 -14.928 1.00 0.00 H new ATOM 0 HA2 GLY B 112 -4.436 -4.385 -14.521 1.00 0.00 H new ATOM 0 HA3 GLY B 112 -5.016 -3.265 -13.304 1.00 0.00 H new ATOM 1787 N ILE B 113 -7.060 -4.735 -13.308 1.00 0.00 N ATOM 1788 CA ILE B 113 -8.390 -5.326 -13.268 1.00 0.00 C ATOM 1789 C ILE B 113 -9.255 -4.627 -12.232 1.00 0.00 C ATOM 1790 O ILE B 113 -10.397 -4.268 -12.504 1.00 0.00 O ATOM 1791 CB ILE B 113 -8.338 -6.843 -12.978 1.00 0.00 C ATOM 1792 CG1 ILE B 113 -7.400 -7.143 -11.804 1.00 0.00 C ATOM 1793 CG2 ILE B 113 -7.901 -7.599 -14.224 1.00 0.00 C ATOM 1794 CD1 ILE B 113 -7.334 -8.606 -11.428 1.00 0.00 C ATOM 0 H ILE B 113 -6.562 -4.754 -12.418 1.00 0.00 H new ATOM 0 HA ILE B 113 -8.833 -5.190 -14.255 1.00 0.00 H new ATOM 0 HB ILE B 113 -9.338 -7.177 -12.700 1.00 0.00 H new ATOM 0 HG12 ILE B 113 -6.397 -6.798 -12.056 1.00 0.00 H new ATOM 0 HG13 ILE B 113 -7.726 -6.570 -10.936 1.00 0.00 H new ATOM 0 HG21 ILE B 113 -7.868 -8.667 -14.009 1.00 0.00 H new ATOM 0 HG22 ILE B 113 -8.611 -7.413 -15.030 1.00 0.00 H new ATOM 0 HG23 ILE B 113 -6.911 -7.259 -14.527 1.00 0.00 H new ATOM 0 HD11 ILE B 113 -6.650 -8.736 -10.590 1.00 0.00 H new ATOM 0 HD12 ILE B 113 -8.327 -8.954 -11.143 1.00 0.00 H new ATOM 0 HD13 ILE B 113 -6.978 -9.185 -12.280 1.00 0.00 H new ATOM 1806 N HIS B 114 -8.700 -4.413 -11.050 1.00 0.00 N ATOM 1807 CA HIS B 114 -9.410 -3.715 -9.991 1.00 0.00 C ATOM 1808 C HIS B 114 -8.647 -2.454 -9.622 1.00 0.00 C ATOM 1809 O HIS B 114 -8.558 -2.084 -8.452 1.00 0.00 O ATOM 1810 CB HIS B 114 -9.560 -4.611 -8.756 1.00 0.00 C ATOM 1811 CG HIS B 114 -10.208 -5.933 -9.034 1.00 0.00 C ATOM 1812 ND1 HIS B 114 -9.690 -7.132 -8.594 1.00 0.00 N ATOM 1813 CD2 HIS B 114 -11.347 -6.242 -9.698 1.00 0.00 C ATOM 1814 CE1 HIS B 114 -10.479 -8.117 -8.972 1.00 0.00 C ATOM 1815 NE2 HIS B 114 -11.495 -7.606 -9.642 1.00 0.00 N ATOM 0 H HIS B 114 -7.758 -4.713 -10.800 1.00 0.00 H new ATOM 0 HA HIS B 114 -10.406 -3.453 -10.348 1.00 0.00 H new ATOM 0 HB2 HIS B 114 -8.574 -4.785 -8.325 1.00 0.00 H new ATOM 0 HB3 HIS B 114 -10.147 -4.082 -8.005 1.00 0.00 H new ATOM 0 HD2 HIS B 114 -12.015 -5.545 -10.182 1.00 0.00 H new ATOM 0 HE1 HIS B 114 -10.321 -9.166 -8.768 1.00 0.00 H new ATOM 0 HE2 HIS B 114 -12.264 -8.137 -10.051 1.00 0.00 H new ATOM 1824 N TYR B 115 -8.093 -1.800 -10.634 1.00 0.00 N ATOM 1825 CA TYR B 115 -7.213 -0.669 -10.410 1.00 0.00 C ATOM 1826 C TYR B 115 -8.012 0.591 -10.131 1.00 0.00 C ATOM 1827 O TYR B 115 -9.105 0.776 -10.661 1.00 0.00 O ATOM 1828 CB TYR B 115 -6.274 -0.474 -11.610 1.00 0.00 C ATOM 1829 CG TYR B 115 -6.754 0.510 -12.651 1.00 0.00 C ATOM 1830 CD1 TYR B 115 -7.547 0.102 -13.712 1.00 0.00 C ATOM 1831 CD2 TYR B 115 -6.398 1.851 -12.572 1.00 0.00 C ATOM 1832 CE1 TYR B 115 -7.978 1.003 -14.664 1.00 0.00 C ATOM 1833 CE2 TYR B 115 -6.824 2.758 -13.516 1.00 0.00 C ATOM 1834 CZ TYR B 115 -7.615 2.332 -14.562 1.00 0.00 C ATOM 1835 OH TYR B 115 -8.051 3.236 -15.506 1.00 0.00 O ATOM 0 H TYR B 115 -8.239 -2.035 -11.616 1.00 0.00 H new ATOM 0 HA TYR B 115 -6.603 -0.876 -9.531 1.00 0.00 H new ATOM 0 HB2 TYR B 115 -5.303 -0.143 -11.241 1.00 0.00 H new ATOM 0 HB3 TYR B 115 -6.120 -1.440 -12.091 1.00 0.00 H new ATOM 0 HD1 TYR B 115 -7.832 -0.936 -13.795 1.00 0.00 H new ATOM 0 HD2 TYR B 115 -5.776 2.188 -11.756 1.00 0.00 H new ATOM 0 HE1 TYR B 115 -8.596 0.671 -15.485 1.00 0.00 H new ATOM 0 HE2 TYR B 115 -6.540 3.797 -13.438 1.00 0.00 H new ATOM 0 HH TYR B 115 -7.708 4.128 -15.288 1.00 0.00 H new ATOM 1845 N ASN B 116 -7.466 1.450 -9.289 1.00 0.00 N ATOM 1846 CA ASN B 116 -8.124 2.701 -8.948 1.00 0.00 C ATOM 1847 C ASN B 116 -7.197 3.859 -9.260 1.00 0.00 C ATOM 1848 O ASN B 116 -5.978 3.739 -9.131 1.00 0.00 O ATOM 1849 CB ASN B 116 -8.492 2.761 -7.461 1.00 0.00 C ATOM 1850 CG ASN B 116 -9.260 1.556 -6.954 1.00 0.00 C ATOM 1851 OD1 ASN B 116 -9.154 1.211 -5.783 1.00 0.00 O ATOM 1852 ND2 ASN B 116 -10.035 0.911 -7.810 1.00 0.00 N ATOM 0 H ASN B 116 -6.568 1.305 -8.828 1.00 0.00 H new ATOM 0 HA ASN B 116 -9.039 2.765 -9.536 1.00 0.00 H new ATOM 0 HB2 ASN B 116 -7.577 2.865 -6.877 1.00 0.00 H new ATOM 0 HB3 ASN B 116 -9.087 3.657 -7.283 1.00 0.00 H new ATOM 0 HD21 ASN B 116 -10.569 0.098 -7.502 1.00 0.00 H new ATOM 0 HD22 ASN B 116 -10.099 1.227 -8.778 1.00 0.00 H new ATOM 1859 N GLU B 117 -7.780 4.980 -9.655 1.00 0.00 N ATOM 1860 CA GLU B 117 -7.016 6.183 -9.952 1.00 0.00 C ATOM 1861 C GLU B 117 -6.307 6.699 -8.704 1.00 0.00 C ATOM 1862 O GLU B 117 -5.253 7.324 -8.797 1.00 0.00 O ATOM 1863 CB GLU B 117 -7.932 7.261 -10.532 1.00 0.00 C ATOM 1864 CG GLU B 117 -9.145 7.555 -9.668 1.00 0.00 C ATOM 1865 CD GLU B 117 -10.031 8.626 -10.256 1.00 0.00 C ATOM 1866 OE1 GLU B 117 -9.796 9.819 -9.969 1.00 0.00 O ATOM 1867 OE2 GLU B 117 -10.967 8.281 -11.007 1.00 0.00 O1- ATOM 0 H GLU B 117 -8.787 5.082 -9.778 1.00 0.00 H new ATOM 0 HA GLU B 117 -6.257 5.933 -10.693 1.00 0.00 H new ATOM 0 HB2 GLU B 117 -7.360 8.179 -10.665 1.00 0.00 H new ATOM 0 HB3 GLU B 117 -8.267 6.948 -11.521 1.00 0.00 H new ATOM 0 HG2 GLU B 117 -9.724 6.641 -9.538 1.00 0.00 H new ATOM 0 HG3 GLU B 117 -8.814 7.866 -8.677 1.00 0.00 H new ATOM 1874 N ALA B 118 -6.878 6.420 -7.535 1.00 0.00 N ATOM 1875 CA ALA B 118 -6.265 6.829 -6.281 1.00 0.00 C ATOM 1876 C ALA B 118 -5.040 5.976 -5.979 1.00 0.00 C ATOM 1877 O ALA B 118 -4.057 6.470 -5.439 1.00 0.00 O ATOM 1878 CB ALA B 118 -7.261 6.752 -5.138 1.00 0.00 C ATOM 0 H ALA B 118 -7.759 5.915 -7.433 1.00 0.00 H new ATOM 0 HA ALA B 118 -5.947 7.866 -6.385 1.00 0.00 H new ATOM 0 HB1 ALA B 118 -6.777 7.063 -4.212 1.00 0.00 H new ATOM 0 HB2 ALA B 118 -8.105 7.410 -5.345 1.00 0.00 H new ATOM 0 HB3 ALA B 118 -7.618 5.727 -5.035 1.00 0.00 H new ATOM 1884 N ILE B 119 -5.094 4.697 -6.340 1.00 0.00 N ATOM 1885 CA ILE B 119 -3.945 3.817 -6.160 1.00 0.00 C ATOM 1886 C ILE B 119 -2.857 4.200 -7.153 1.00 0.00 C ATOM 1887 O ILE B 119 -1.667 4.204 -6.827 1.00 0.00 O ATOM 1888 CB ILE B 119 -4.303 2.324 -6.348 1.00 0.00 C ATOM 1889 CG1 ILE B 119 -5.430 1.909 -5.396 1.00 0.00 C ATOM 1890 CG2 ILE B 119 -3.068 1.456 -6.119 1.00 0.00 C ATOM 1891 CD1 ILE B 119 -5.028 1.904 -3.938 1.00 0.00 C ATOM 0 H ILE B 119 -5.912 4.251 -6.755 1.00 0.00 H new ATOM 0 HA ILE B 119 -3.597 3.943 -5.135 1.00 0.00 H new ATOM 0 HB ILE B 119 -4.652 2.180 -7.370 1.00 0.00 H new ATOM 0 HG12 ILE B 119 -6.273 2.587 -5.528 1.00 0.00 H new ATOM 0 HG13 ILE B 119 -5.777 0.913 -5.671 1.00 0.00 H new ATOM 0 HG21 ILE B 119 -3.331 0.407 -6.254 1.00 0.00 H new ATOM 0 HG22 ILE B 119 -2.293 1.731 -6.834 1.00 0.00 H new ATOM 0 HG23 ILE B 119 -2.698 1.610 -5.105 1.00 0.00 H new ATOM 0 HD11 ILE B 119 -5.878 1.600 -3.327 1.00 0.00 H new ATOM 0 HD12 ILE B 119 -4.206 1.204 -3.790 1.00 0.00 H new ATOM 0 HD13 ILE B 119 -4.710 2.904 -3.645 1.00 0.00 H new ATOM 1903 N GLU B 120 -3.283 4.539 -8.365 1.00 0.00 N ATOM 1904 CA GLU B 120 -2.370 5.000 -9.395 1.00 0.00 C ATOM 1905 C GLU B 120 -1.628 6.247 -8.924 1.00 0.00 C ATOM 1906 O GLU B 120 -0.402 6.307 -8.988 1.00 0.00 O ATOM 1907 CB GLU B 120 -3.131 5.281 -10.692 1.00 0.00 C ATOM 1908 CG GLU B 120 -2.233 5.702 -11.842 1.00 0.00 C ATOM 1909 CD GLU B 120 -2.973 5.797 -13.159 1.00 0.00 C ATOM 1910 OE1 GLU B 120 -3.644 6.824 -13.395 1.00 0.00 O ATOM 1911 OE2 GLU B 120 -2.880 4.852 -13.967 1.00 0.00 O1- ATOM 0 H GLU B 120 -4.260 4.502 -8.655 1.00 0.00 H new ATOM 0 HA GLU B 120 -1.637 4.217 -9.590 1.00 0.00 H new ATOM 0 HB2 GLU B 120 -3.683 4.387 -10.981 1.00 0.00 H new ATOM 0 HB3 GLU B 120 -3.866 6.065 -10.510 1.00 0.00 H new ATOM 0 HG2 GLU B 120 -1.784 6.668 -11.612 1.00 0.00 H new ATOM 0 HG3 GLU B 120 -1.416 4.987 -11.940 1.00 0.00 H new ATOM 1918 N GLU B 121 -2.371 7.229 -8.422 1.00 0.00 N ATOM 1919 CA GLU B 121 -1.761 8.431 -7.873 1.00 0.00 C ATOM 1920 C GLU B 121 -0.900 8.093 -6.660 1.00 0.00 C ATOM 1921 O GLU B 121 0.214 8.590 -6.529 1.00 0.00 O ATOM 1922 CB GLU B 121 -2.830 9.460 -7.492 1.00 0.00 C ATOM 1923 CG GLU B 121 -3.513 10.096 -8.691 1.00 0.00 C ATOM 1924 CD GLU B 121 -4.557 11.123 -8.303 1.00 0.00 C ATOM 1925 OE1 GLU B 121 -4.227 12.080 -7.568 1.00 0.00 O ATOM 1926 OE2 GLU B 121 -5.714 10.997 -8.759 1.00 0.00 O1- ATOM 0 H GLU B 121 -3.390 7.215 -8.385 1.00 0.00 H new ATOM 0 HA GLU B 121 -1.123 8.865 -8.643 1.00 0.00 H new ATOM 0 HB2 GLU B 121 -3.583 8.977 -6.869 1.00 0.00 H new ATOM 0 HB3 GLU B 121 -2.371 10.243 -6.888 1.00 0.00 H new ATOM 0 HG2 GLU B 121 -2.761 10.571 -9.321 1.00 0.00 H new ATOM 0 HG3 GLU B 121 -3.984 9.316 -9.290 1.00 0.00 H new ATOM 1933 N PHE B 122 -1.420 7.223 -5.795 1.00 0.00 N ATOM 1934 CA PHE B 122 -0.730 6.825 -4.569 1.00 0.00 C ATOM 1935 C PHE B 122 0.697 6.371 -4.854 1.00 0.00 C ATOM 1936 O PHE B 122 1.650 6.930 -4.313 1.00 0.00 O ATOM 1937 CB PHE B 122 -1.500 5.696 -3.874 1.00 0.00 C ATOM 1938 CG PHE B 122 -0.929 5.291 -2.541 1.00 0.00 C ATOM 1939 CD1 PHE B 122 -1.317 5.943 -1.380 1.00 0.00 C ATOM 1940 CD2 PHE B 122 -0.008 4.258 -2.448 1.00 0.00 C ATOM 1941 CE1 PHE B 122 -0.796 5.573 -0.154 1.00 0.00 C ATOM 1942 CE2 PHE B 122 0.514 3.883 -1.226 1.00 0.00 C ATOM 1943 CZ PHE B 122 0.121 4.542 -0.076 1.00 0.00 C ATOM 0 H PHE B 122 -2.328 6.776 -5.924 1.00 0.00 H new ATOM 0 HA PHE B 122 -0.687 7.696 -3.915 1.00 0.00 H new ATOM 0 HB2 PHE B 122 -2.535 6.009 -3.734 1.00 0.00 H new ATOM 0 HB3 PHE B 122 -1.517 4.825 -4.529 1.00 0.00 H new ATOM 0 HD1 PHE B 122 -2.034 6.749 -1.434 1.00 0.00 H new ATOM 0 HD2 PHE B 122 0.305 3.740 -3.343 1.00 0.00 H new ATOM 0 HE1 PHE B 122 -1.106 6.090 0.743 1.00 0.00 H new ATOM 0 HE2 PHE B 122 1.229 3.075 -1.169 1.00 0.00 H new ATOM 0 HZ PHE B 122 0.529 4.252 0.881 1.00 0.00 H new ATOM 1953 N CYS B 123 0.838 5.364 -5.711 1.00 0.00 N ATOM 1954 CA CYS B 123 2.149 4.810 -6.022 1.00 0.00 C ATOM 1955 C CYS B 123 3.061 5.870 -6.635 1.00 0.00 C ATOM 1956 O CYS B 123 4.226 5.969 -6.266 1.00 0.00 O ATOM 1957 CB CYS B 123 2.024 3.596 -6.952 1.00 0.00 C ATOM 1958 SG CYS B 123 1.212 3.922 -8.534 1.00 0.00 S ATOM 0 H CYS B 123 0.063 4.917 -6.200 1.00 0.00 H new ATOM 0 HA CYS B 123 2.601 4.477 -5.088 1.00 0.00 H new ATOM 0 HB2 CYS B 123 3.022 3.203 -7.148 1.00 0.00 H new ATOM 0 HB3 CYS B 123 1.470 2.815 -6.431 1.00 0.00 H new ATOM 0 HG CYS B 123 0.578 5.055 -8.471 1.00 0.00 H new ATOM 1964 N GLN B 124 2.515 6.689 -7.531 1.00 0.00 N ATOM 1965 CA GLN B 124 3.312 7.689 -8.240 1.00 0.00 C ATOM 1966 C GLN B 124 3.817 8.773 -7.289 1.00 0.00 C ATOM 1967 O GLN B 124 5.014 9.066 -7.252 1.00 0.00 O ATOM 1968 CB GLN B 124 2.502 8.325 -9.372 1.00 0.00 C ATOM 1969 CG GLN B 124 2.083 7.340 -10.453 1.00 0.00 C ATOM 1970 CD GLN B 124 3.259 6.620 -11.085 1.00 0.00 C ATOM 1971 OE1 GLN B 124 4.363 7.158 -11.173 1.00 0.00 O ATOM 1972 NE2 GLN B 124 3.032 5.394 -11.528 1.00 0.00 N ATOM 0 H GLN B 124 1.527 6.681 -7.783 1.00 0.00 H new ATOM 0 HA GLN B 124 4.175 7.177 -8.666 1.00 0.00 H new ATOM 0 HB2 GLN B 124 1.610 8.790 -8.952 1.00 0.00 H new ATOM 0 HB3 GLN B 124 3.092 9.120 -9.827 1.00 0.00 H new ATOM 0 HG2 GLN B 124 1.402 6.605 -10.023 1.00 0.00 H new ATOM 0 HG3 GLN B 124 1.531 7.872 -11.228 1.00 0.00 H new ATOM 0 HE21 GLN B 124 2.103 4.983 -11.437 1.00 0.00 H new ATOM 0 HE22 GLN B 124 3.786 4.860 -11.961 1.00 0.00 H new ATOM 1981 N ILE B 125 2.898 9.352 -6.521 1.00 0.00 N ATOM 1982 CA ILE B 125 3.233 10.398 -5.554 1.00 0.00 C ATOM 1983 C ILE B 125 4.244 9.881 -4.539 1.00 0.00 C ATOM 1984 O ILE B 125 5.232 10.546 -4.221 1.00 0.00 O ATOM 1985 CB ILE B 125 1.968 10.880 -4.801 1.00 0.00 C ATOM 1986 CG1 ILE B 125 0.954 11.463 -5.785 1.00 0.00 C ATOM 1987 CG2 ILE B 125 2.328 11.910 -3.734 1.00 0.00 C ATOM 1988 CD1 ILE B 125 -0.435 11.623 -5.206 1.00 0.00 C ATOM 0 H ILE B 125 1.907 9.113 -6.549 1.00 0.00 H new ATOM 0 HA ILE B 125 3.662 11.234 -6.107 1.00 0.00 H new ATOM 0 HB ILE B 125 1.519 10.020 -4.304 1.00 0.00 H new ATOM 0 HG12 ILE B 125 1.310 12.435 -6.126 1.00 0.00 H new ATOM 0 HG13 ILE B 125 0.900 10.818 -6.662 1.00 0.00 H new ATOM 0 HG21 ILE B 125 1.423 12.233 -3.220 1.00 0.00 H new ATOM 0 HG22 ILE B 125 3.015 11.464 -3.015 1.00 0.00 H new ATOM 0 HG23 ILE B 125 2.804 12.770 -4.205 1.00 0.00 H new ATOM 0 HD11 ILE B 125 -1.099 12.042 -5.963 1.00 0.00 H new ATOM 0 HD12 ILE B 125 -0.812 10.650 -4.891 1.00 0.00 H new ATOM 0 HD13 ILE B 125 -0.396 12.293 -4.347 1.00 0.00 H new ATOM 2000 N LEU B 126 3.994 8.677 -4.055 1.00 0.00 N ATOM 2001 CA LEU B 126 4.818 8.074 -3.024 1.00 0.00 C ATOM 2002 C LEU B 126 6.199 7.693 -3.553 1.00 0.00 C ATOM 2003 O LEU B 126 7.219 8.061 -2.962 1.00 0.00 O ATOM 2004 CB LEU B 126 4.109 6.845 -2.464 1.00 0.00 C ATOM 2005 CG LEU B 126 4.833 6.144 -1.328 1.00 0.00 C ATOM 2006 CD1 LEU B 126 5.159 7.134 -0.227 1.00 0.00 C ATOM 2007 CD2 LEU B 126 3.987 5.003 -0.799 1.00 0.00 C ATOM 0 H LEU B 126 3.217 8.093 -4.364 1.00 0.00 H new ATOM 0 HA LEU B 126 4.965 8.808 -2.232 1.00 0.00 H new ATOM 0 HB2 LEU B 126 3.120 7.143 -2.115 1.00 0.00 H new ATOM 0 HB3 LEU B 126 3.959 6.131 -3.274 1.00 0.00 H new ATOM 0 HG LEU B 126 5.770 5.731 -1.702 1.00 0.00 H new ATOM 0 HD11 LEU B 126 5.678 6.620 0.582 1.00 0.00 H new ATOM 0 HD12 LEU B 126 5.798 7.923 -0.624 1.00 0.00 H new ATOM 0 HD13 LEU B 126 4.236 7.572 0.154 1.00 0.00 H new ATOM 0 HD21 LEU B 126 4.514 4.506 0.015 1.00 0.00 H new ATOM 0 HD22 LEU B 126 3.038 5.394 -0.432 1.00 0.00 H new ATOM 0 HD23 LEU B 126 3.799 4.288 -1.600 1.00 0.00 H new ATOM 2019 N LEU B 127 6.242 6.973 -4.672 1.00 0.00 N ATOM 2020 CA LEU B 127 7.509 6.477 -5.194 1.00 0.00 C ATOM 2021 C LEU B 127 8.390 7.636 -5.632 1.00 0.00 C ATOM 2022 O LEU B 127 9.615 7.527 -5.623 1.00 0.00 O ATOM 2023 CB LEU B 127 7.298 5.485 -6.356 1.00 0.00 C ATOM 2024 CG LEU B 127 6.952 6.086 -7.732 1.00 0.00 C ATOM 2025 CD1 LEU B 127 8.210 6.491 -8.494 1.00 0.00 C ATOM 2026 CD2 LEU B 127 6.141 5.097 -8.553 1.00 0.00 C ATOM 0 H LEU B 127 5.424 6.723 -5.227 1.00 0.00 H new ATOM 0 HA LEU B 127 8.011 5.937 -4.391 1.00 0.00 H new ATOM 0 HB2 LEU B 127 8.206 4.891 -6.464 1.00 0.00 H new ATOM 0 HB3 LEU B 127 6.499 4.799 -6.075 1.00 0.00 H new ATOM 0 HG LEU B 127 6.356 6.983 -7.562 1.00 0.00 H new ATOM 0 HD11 LEU B 127 7.931 6.911 -9.460 1.00 0.00 H new ATOM 0 HD12 LEU B 127 8.759 7.237 -7.919 1.00 0.00 H new ATOM 0 HD13 LEU B 127 8.840 5.615 -8.648 1.00 0.00 H new ATOM 0 HD21 LEU B 127 5.904 5.536 -9.522 1.00 0.00 H new ATOM 0 HD22 LEU B 127 6.720 4.185 -8.700 1.00 0.00 H new ATOM 0 HD23 LEU B 127 5.216 4.859 -8.027 1.00 0.00 H new ATOM 2038 N ASP B 128 7.757 8.743 -6.007 1.00 0.00 N ATOM 2039 CA ASP B 128 8.479 9.929 -6.453 1.00 0.00 C ATOM 2040 C ASP B 128 9.467 10.371 -5.393 1.00 0.00 C ATOM 2041 O ASP B 128 10.634 10.640 -5.680 1.00 0.00 O ATOM 2042 CB ASP B 128 7.504 11.071 -6.731 1.00 0.00 C ATOM 2043 CG ASP B 128 8.148 12.210 -7.496 1.00 0.00 C ATOM 2044 OD1 ASP B 128 8.699 13.132 -6.859 1.00 0.00 O ATOM 2045 OD2 ASP B 128 8.106 12.187 -8.746 1.00 0.00 O1- ATOM 0 H ASP B 128 6.742 8.843 -6.011 1.00 0.00 H new ATOM 0 HA ASP B 128 9.014 9.677 -7.369 1.00 0.00 H new ATOM 0 HB2 ASP B 128 6.655 10.690 -7.299 1.00 0.00 H new ATOM 0 HB3 ASP B 128 7.112 11.448 -5.786 1.00 0.00 H new ATOM 2050 N LYS B 129 8.995 10.404 -4.158 1.00 0.00 N ATOM 2051 CA LYS B 129 9.795 10.883 -3.048 1.00 0.00 C ATOM 2052 C LYS B 129 10.664 9.761 -2.491 1.00 0.00 C ATOM 2053 O LYS B 129 11.760 10.003 -1.983 1.00 0.00 O ATOM 2054 CB LYS B 129 8.889 11.453 -1.953 1.00 0.00 C ATOM 2055 CG LYS B 129 7.785 12.361 -2.477 1.00 0.00 C ATOM 2056 CD LYS B 129 8.326 13.418 -3.422 1.00 0.00 C ATOM 2057 CE LYS B 129 7.200 14.175 -4.099 1.00 0.00 C ATOM 2058 NZ LYS B 129 7.695 15.007 -5.225 1.00 0.00 N1+ ATOM 0 H LYS B 129 8.055 10.102 -3.900 1.00 0.00 H new ATOM 0 HA LYS B 129 10.450 11.676 -3.408 1.00 0.00 H new ATOM 0 HB2 LYS B 129 8.437 10.628 -1.403 1.00 0.00 H new ATOM 0 HB3 LYS B 129 9.500 12.012 -1.244 1.00 0.00 H new ATOM 0 HG2 LYS B 129 7.035 11.761 -2.993 1.00 0.00 H new ATOM 0 HG3 LYS B 129 7.284 12.845 -1.639 1.00 0.00 H new ATOM 0 HD2 LYS B 129 8.956 14.115 -2.870 1.00 0.00 H new ATOM 0 HD3 LYS B 129 8.956 12.947 -4.176 1.00 0.00 H new ATOM 0 HE2 LYS B 129 6.457 13.468 -4.468 1.00 0.00 H new ATOM 0 HE3 LYS B 129 6.699 14.811 -3.369 1.00 0.00 H new ATOM 0 HZ1 LYS B 129 6.956 15.682 -5.509 1.00 0.00 H new ATOM 0 HZ2 LYS B 129 8.543 15.528 -4.925 1.00 0.00 H new ATOM 0 HZ3 LYS B 129 7.932 14.394 -6.031 1.00 0.00 H new ATOM 2072 N LEU B 130 10.179 8.529 -2.603 1.00 0.00 N ATOM 2073 CA LEU B 130 10.934 7.364 -2.148 1.00 0.00 C ATOM 2074 C LEU B 130 12.129 7.089 -3.058 1.00 0.00 C ATOM 2075 O LEU B 130 13.109 6.479 -2.639 1.00 0.00 O ATOM 2076 CB LEU B 130 10.035 6.127 -2.075 1.00 0.00 C ATOM 2077 CG LEU B 130 9.016 6.130 -0.932 1.00 0.00 C ATOM 2078 CD1 LEU B 130 8.032 4.982 -1.092 1.00 0.00 C ATOM 2079 CD2 LEU B 130 9.722 6.026 0.411 1.00 0.00 C ATOM 0 H LEU B 130 9.267 8.310 -3.004 1.00 0.00 H new ATOM 0 HA LEU B 130 11.308 7.586 -1.148 1.00 0.00 H new ATOM 0 HB2 LEU B 130 9.498 6.031 -3.019 1.00 0.00 H new ATOM 0 HB3 LEU B 130 10.666 5.244 -1.976 1.00 0.00 H new ATOM 0 HG LEU B 130 8.466 7.071 -0.968 1.00 0.00 H new ATOM 0 HD11 LEU B 130 7.315 5.000 -0.271 1.00 0.00 H new ATOM 0 HD12 LEU B 130 7.502 5.086 -2.039 1.00 0.00 H new ATOM 0 HD13 LEU B 130 8.572 4.035 -1.081 1.00 0.00 H new ATOM 0 HD21 LEU B 130 8.983 6.030 1.212 1.00 0.00 H new ATOM 0 HD22 LEU B 130 10.295 5.100 0.450 1.00 0.00 H new ATOM 0 HD23 LEU B 130 10.395 6.874 0.535 1.00 0.00 H new ATOM 2091 N ASN B 131 12.044 7.528 -4.305 1.00 0.00 N ATOM 2092 CA ASN B 131 13.167 7.400 -5.230 1.00 0.00 C ATOM 2093 C ASN B 131 13.964 8.695 -5.288 1.00 0.00 C ATOM 2094 O ASN B 131 15.004 8.765 -5.941 1.00 0.00 O ATOM 2095 CB ASN B 131 12.693 7.013 -6.634 1.00 0.00 C ATOM 2096 CG ASN B 131 12.279 5.556 -6.731 1.00 0.00 C ATOM 2097 OD1 ASN B 131 13.104 4.680 -6.992 1.00 0.00 O ATOM 2098 ND2 ASN B 131 11.000 5.284 -6.530 1.00 0.00 N ATOM 0 H ASN B 131 11.216 7.974 -4.701 1.00 0.00 H new ATOM 0 HA ASN B 131 13.811 6.604 -4.857 1.00 0.00 H new ATOM 0 HB2 ASN B 131 11.851 7.645 -6.916 1.00 0.00 H new ATOM 0 HB3 ASN B 131 13.492 7.208 -7.349 1.00 0.00 H new ATOM 0 HD21 ASN B 131 10.668 4.321 -6.589 1.00 0.00 H new ATOM 0 HD22 ASN B 131 10.346 6.037 -6.316 1.00 0.00 H new ATOM 2105 N ALA B 132 13.479 9.713 -4.584 1.00 0.00 N ATOM 2106 CA ALA B 132 14.152 11.006 -4.549 1.00 0.00 C ATOM 2107 C ALA B 132 15.219 11.030 -3.470 1.00 0.00 C ATOM 2108 O ALA B 132 16.004 11.975 -3.366 1.00 0.00 O ATOM 2109 CB ALA B 132 13.148 12.125 -4.336 1.00 0.00 C ATOM 0 H ALA B 132 12.623 9.667 -4.031 1.00 0.00 H new ATOM 0 HA ALA B 132 14.640 11.162 -5.511 1.00 0.00 H new ATOM 0 HB1 ALA B 132 13.669 13.082 -4.313 1.00 0.00 H new ATOM 0 HB2 ALA B 132 12.425 12.125 -5.152 1.00 0.00 H new ATOM 0 HB3 ALA B 132 12.628 11.972 -3.390 1.00 0.00 H new